Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-hydroxyphenyl)thio)-, (5R-(5alpha,5abeta,8aalpha,9beta))-
TL;DR: Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-hydroxyphenyl)thio)-, (5R-(5alpha,5abeta,8aalpha,9beta))- (CAS 127882-83-1) is a chemical compound with molecular formula C27H24O8S and molecular weight 508.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-hydroxyphenyl)sulfanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Also Known As: Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-hydroxyphenyl)thio)-, (5R-(5alpha,5abeta,8aalpha,9beta))-, 4'-demethyl-4-p-nitroaniline-4-desoxypodophyllotoxin, (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-hydroxyphenyl)sulfanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one, (10R,11R,15R,16S)-10-(4-hydroxy-3,5-dimethoxyphenyl)-16-[(4-hydroxyphenyl)sulfanyl]-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-12-one, (5R)-5,5aalpha,8abeta,9-Tetrahydro-9alpha-(4-hydroxyphenylthio)-5beta-(4-hydroxy-3,5-dimethoxyphenyl)furo[3 ,4 :6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one
| Molecular Formula | C27H24O8S |
|---|---|
| Molecular Weight | 508.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.1192 |
| Heavy Atoms | 36 |
| Complexity | 776.0 |
Chemical Identifiers
| CAS Number | 127882-83-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)SC6=CC=C(C=C6)O |
| InChIKey | LMBVICULWBZMLW-DLTDCEFJSA-N |
Product Overview
Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-hydroxyphenyl)thio)-, (5R-(5alpha,5abeta,8aalpha,9beta))- (CAS 127882-83-1), with molecular formula C27H24O8S and molecular weight 508.12 g/mol. IUPAC: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-hydroxyphenyl)sulfanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one.
Chemical Property Profile of Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-hydroxyphenyl)thio)-, (5R-(5alpha,5abeta,8aalpha,9beta))-
Property Insights of Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-hydroxyphenyl)thio)-, (5R-(5alpha,5abeta,8aalpha,9beta))-
The XLogP value of 4.2 indicates that Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-hydroxyphenyl)thio)-, (5R-(5alpha,5abeta,8aalpha,9beta))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-hydroxyphenyl)thio)-, (5R-(5alpha,5abeta,8aalpha,9beta))-. Following Lipinski's Rule of Five, Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-hydroxyphenyl)thio)-, (5R-(5alpha,5abeta,8aalpha,9beta))- has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-hydroxyphenyl)thio)-, (5R-(5alpha,5abeta,8aalpha,9beta))-?
The CAS number of Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-hydroxyphenyl)thio)-, (5R-(5alpha,5abeta,8aalpha,9beta))- is 127882-83-1.
What is the molecular formula of Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-hydroxyphenyl)thio)-, (5R-(5alpha,5abeta,8aalpha,9beta))-?
The molecular formula of Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-hydroxyphenyl)thio)-, (5R-(5alpha,5abeta,8aalpha,9beta))- is C27H24O8S.
What is the molecular weight of Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-hydroxyphenyl)thio)-, (5R-(5alpha,5abeta,8aalpha,9beta))-?
The molecular weight of Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-hydroxyphenyl)thio)-, (5R-(5alpha,5abeta,8aalpha,9beta))- is 508.12 g/mol.
Where can I buy Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-hydroxyphenyl)thio)-, (5R-(5alpha,5abeta,8aalpha,9beta))-?
You can request a quote for Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-hydroxyphenyl)thio)-, (5R-(5alpha,5abeta,8aalpha,9beta))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-hydroxyphenyl)thio)-, (5R-(5alpha,5abeta,8aalpha,9beta))-?
Yes, KEHONG BIO provides custom synthesis services for Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-hydroxyphenyl)thio)-, (5R-(5alpha,5abeta,8aalpha,9beta))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.