AN-3,16-Dtdhete-17
TL;DR: AN-3,16-Dtdhete-17 (CAS 83306-45-0) is a chemical compound with molecular formula C16H18OS2 and molecular weight 290.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5aS,6S)-5a-methyl-4,5,6,7,10,11-hexahydro-[1]benzothiolo[4,5-h]isothiochromen-6-ol
Also Known As: AN-3,16-Dtdhete-17, (5aS,6S)-5a-methyl-4,5,6,7,10,11-hexahydro-[1]benzothiolo[4,5-h]isothiochromen-6-ol, A-Nor-3,16-dithia-D-homo-1,5(10),8,14-estratetraen-17-ol, A-Nor-3,16-dithia-D-homo-1,5(10),8,14-estratetraen-17alpha-ol, A-nor-3,16-dithia-D-homo-1,5(10),8,14-estratetraen-17a
| Molecular Formula | C16H18OS2 |
|---|---|
| Molecular Weight | 290.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 290.0799 |
| Heavy Atoms | 19 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 83306-45-0 |
|---|---|
| SMILES | C[C@]12CCC3=C(C1=CSC[C@H]2O)CCC4=C3C=CS4 |
| InChIKey | SCBZANADWSAVET-CVEARBPZSA-N |
Product Overview
AN-3,16-Dtdhete-17 (CAS 83306-45-0), with molecular formula C16H18OS2 and molecular weight 290.08 g/mol. IUPAC: (5aS,6S)-5a-methyl-4,5,6,7,10,11-hexahydro-[1]benzothiolo[4,5-h]isothiochromen-6-ol.
Chemical Property Profile of AN-3,16-Dtdhete-17
Property Insights of AN-3,16-Dtdhete-17
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-3,16-Dtdhete-17. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-3,16-Dtdhete-17. Following Lipinski's Rule of Five, AN-3,16-Dtdhete-17 has 1 hydrogen bond donor(s) and 3 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 AN-3,16-Dtdhete-17?
The CAS number of AN-3,16-Dtdhete-17 is 83306-45-0.
What is the molecular formula of AN-3,16-Dtdhete-17?
The molecular formula of AN-3,16-Dtdhete-17 is C16H18OS2.
What is the molecular weight of AN-3,16-Dtdhete-17?
The molecular weight of AN-3,16-Dtdhete-17 is 290.08 g/mol.
Where can I buy AN-3,16-Dtdhete-17?
You can request a quote for AN-3,16-Dtdhete-17 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-3,16-Dtdhete-17?
Yes, KEHONG BIO provides custom synthesis services for AN-3,16-Dtdhete-17 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.