A-nor-3-thiaestra-1,5(10),8,14-tetraen-17(e)-ol
TL;DR: A-nor-3-thiaestra-1,5(10),8,14-tetraen-17(e)-ol (CAS 6636-23-3) is a chemical compound with molecular formula C16H18OS and molecular weight 258.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5aR,6R)-5a-methyl-4,5,6,7,9,10-hexahydroindeno[5,4-e][1]benzothiol-6-ol
Also Known As: Sid 769010, KST-1A7296, A-Nor-3-thiaestra-1,5(10),8,14-tetraen-17(e)-ol, 2,4(1H,3H)-Pyrimidinedione,6-ethoxy-3-ethyl, (5ar,6r)-5a-methyl-5,5a,6,7,9,10-hexahydro-4h-cyclopenta[5,6]naphtho[2,1-b]thiophene-6-ol
| Molecular Formula | C16H18OS |
|---|---|
| Molecular Weight | 258.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 48.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.10785 |
| Heavy Atoms | 18 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 6636-23-3 |
|---|---|
| SMILES | C[C@@]12CCC3=C(C1=CC[C@H]2O)CCC4=C3C=CS4 |
| InChIKey | UZLZQQCWQBCWOW-HZPDHXFCSA-N |
Product Overview
A-nor-3-thiaestra-1,5(10),8,14-tetraen-17(e)-ol (CAS 6636-23-3), with molecular formula C16H18OS and molecular weight 258.11 g/mol. IUPAC: (5aR,6R)-5a-methyl-4,5,6,7,9,10-hexahydroindeno[5,4-e][1]benzothiol-6-ol.
Chemical Property Profile of A-nor-3-thiaestra-1,5(10),8,14-tetraen-17(e)-ol
Property Insights of A-nor-3-thiaestra-1,5(10),8,14-tetraen-17(e)-ol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A-nor-3-thiaestra-1,5(10),8,14-tetraen-17(e)-ol. With a topological polar surface area (TPSA) of 48.5 Ų, A-nor-3-thiaestra-1,5(10),8,14-tetraen-17(e)-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A-nor-3-thiaestra-1,5(10),8,14-tetraen-17(e)-ol has 1 hydrogen bond donor(s) and 2 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 A-nor-3-thiaestra-1,5(10),8,14-tetraen-17(e)-ol?
The CAS number of A-nor-3-thiaestra-1,5(10),8,14-tetraen-17(e)-ol is 6636-23-3.
What is the molecular formula of A-nor-3-thiaestra-1,5(10),8,14-tetraen-17(e)-ol?
The molecular formula of A-nor-3-thiaestra-1,5(10),8,14-tetraen-17(e)-ol is C16H18OS.
What is the molecular weight of A-nor-3-thiaestra-1,5(10),8,14-tetraen-17(e)-ol?
The molecular weight of A-nor-3-thiaestra-1,5(10),8,14-tetraen-17(e)-ol is 258.11 g/mol.
Where can I buy A-nor-3-thiaestra-1,5(10),8,14-tetraen-17(e)-ol?
You can request a quote for A-nor-3-thiaestra-1,5(10),8,14-tetraen-17(e)-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A-nor-3-thiaestra-1,5(10),8,14-tetraen-17(e)-ol?
Yes, KEHONG BIO provides custom synthesis services for A-nor-3-thiaestra-1,5(10),8,14-tetraen-17(e)-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.