![Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-, (S)- structure](/static/products/6676/66767-18-8.webp)
Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-, (S)-
TL;DR: Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-, (S)- (CAS 66767-18-8) is a chemical compound with molecular formula C27H35NO9S and molecular weight 549.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S)-10-ethylsulfanyl-1,2,3-trimethoxy-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-6,7-dihydro-5H-benzo[a]heptalen-9-one
Also Known As: Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-, (S)-, (7S)-10-ethylsulfanyl-1,2,3-trimethoxy-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-6,7-dihydro-5H-benzo[a]heptalen-9-one, N-[(7S)-10-(Ethylsulfanyl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]hexopyranosylamine
| Molecular Formula | C27H35NO9S |
|---|---|
| Molecular Weight | 549.20 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 549.20325 |
| Heavy Atoms | 38 |
| Complexity | 940.0 |
Chemical Identifiers
| CAS Number | 66767-18-8 |
|---|---|
| SMILES | CCSC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC4C(C(C(C(O4)CO)O)O)O |
| InChIKey | GQVWLSDYJIVSGP-MPVWKRLLSA-N |
Product Overview
Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-, (S)- (CAS 66767-18-8), with molecular formula C27H35NO9S and molecular weight 549.20 g/mol. IUPAC: (7S)-10-ethylsulfanyl-1,2,3-trimethoxy-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-6,7-dihydro-5H-benzo[a]heptalen-9-one.
Chemical Property Profile of Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-, (S)-
Property Insights of Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-, (S)-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-, (S)-. The TPSA of 172.0 Ų indicates high polarity, suggesting Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-, (S)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-, (S)- has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-, (S)-?
The CAS number of Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-, (S)- is 66767-18-8.
What is the molecular formula of Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-, (S)-?
The molecular formula of Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-, (S)- is C27H35NO9S.
What is the molecular weight of Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-, (S)-?
The molecular weight of Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-, (S)- is 549.20 g/mol.
Where can I buy Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-, (S)-?
You can request a quote for Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-, (S)-?
Yes, KEHONG BIO provides custom synthesis services for Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.