Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(1-imino-2-(2-methoxyphenyl)ethyl)-, 1,1-dioxide, cis-(+-)-
TL;DR: Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(1-imino-2-(2-methoxyphenyl)ethyl)-, 1,1-dioxide, cis-(+-)- (CAS 146674-65-9) is a chemical compound with molecular formula C28H30N2O3S and molecular weight 474.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,7aS)-7-benzyl-2-(2-hydroxybenzenecarboximidoyl)-7-phenylsulfanyl-1,3,3a,5,6,7a-hexahydroisoindole-4,4-diol
Also Known As: Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(1-imino-2-(2-methoxyphenyl)ethyl)-, 1,1-dioxide, cis-(+-)-, (6E)-6-[[(3aS,7aR)-4-benzyl-7,7-dihydroxy-4-phenylsulfanyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-aminomethylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C28H30N2O3S |
|---|---|
| Molecular Weight | 474.20 g/mol |
| LogP | 4.51407 |
| Topological Polar Surface Area | 87.78 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.19772 |
| Heavy Atoms | 34 |
| Complexity | 1111.0824 |
Chemical Identifiers
| CAS Number | 146674-65-9 |
|---|---|
| SMILES | C1CC([C@H]2CN(C[C@H]2C1(CC3=CC=CC=C3)SC4=CC=CC=C4)C(=N)C5=CC=CC=C5O)(O)O |
Product Overview
Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(1-imino-2-(2-methoxyphenyl)ethyl)-, 1,1-dioxide, cis-(+-)- (CAS 146674-65-9), with molecular formula C28H30N2O3S and molecular weight 474.20 g/mol. IUPAC: (3aR,7aS)-7-benzyl-2-(2-hydroxybenzenecarboximidoyl)-7-phenylsulfanyl-1,3,3a,5,6,7a-hexahydroisoindole-4,4-diol.
Chemical Property Profile of Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(1-imino-2-(2-methoxyphenyl)ethyl)-, 1,1-dioxide, cis-(+-)-
Property Insights of Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(1-imino-2-(2-methoxyphenyl)ethyl)-, 1,1-dioxide, cis-(+-)-
The XLogP value of 4.51407 indicates that Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(1-imino-2-(2-methoxyphenyl)ethyl)-, 1,1-dioxide, cis-(+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(1-imino-2-(2-methoxyphenyl)ethyl)-, 1,1-dioxide, cis-(+-)-. Following Lipinski's Rule of Five, Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(1-imino-2-(2-methoxyphenyl)ethyl)-, 1,1-dioxide, cis-(+-)- has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(1-imino-2-(2-methoxyphenyl)ethyl)-, 1,1-dioxide, cis-(+-)-?
The CAS number of Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(1-imino-2-(2-methoxyphenyl)ethyl)-, 1,1-dioxide, cis-(+-)- is 146674-65-9.
What is the molecular formula of Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(1-imino-2-(2-methoxyphenyl)ethyl)-, 1,1-dioxide, cis-(+-)-?
The molecular formula of Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(1-imino-2-(2-methoxyphenyl)ethyl)-, 1,1-dioxide, cis-(+-)- is C28H30N2O3S.
What is the molecular weight of Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(1-imino-2-(2-methoxyphenyl)ethyl)-, 1,1-dioxide, cis-(+-)-?
The molecular weight of Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(1-imino-2-(2-methoxyphenyl)ethyl)-, 1,1-dioxide, cis-(+-)- is 474.20 g/mol.
Where can I buy Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(1-imino-2-(2-methoxyphenyl)ethyl)-, 1,1-dioxide, cis-(+-)-?
You can request a quote for Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(1-imino-2-(2-methoxyphenyl)ethyl)-, 1,1-dioxide, cis-(+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(1-imino-2-(2-methoxyphenyl)ethyl)-, 1,1-dioxide, cis-(+-)-?
Yes, KEHONG BIO provides custom synthesis services for Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(1-imino-2-(2-methoxyphenyl)ethyl)-, 1,1-dioxide, cis-(+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.