8,13-Diaza-3-thia-A-norgona-1,5(10)-dien-17-one
TL;DR: 8,13-Diaza-3-thia-A-norgona-1,5(10)-dien-17-one (CAS 95846-66-5) is a chemical compound with molecular formula C13H16N2OS and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,9R)-13-thia-1,6-diazatetracyclo[7.7.0.02,6.010,14]hexadeca-10(14),11-dien-5-one
Also Known As: 8,13-Dtndo, 8,13-Diaza-3-thia-A-norgona-1,5(10)-dien-17-one, 5H-Pyrrolo(1,2-a)thieno(3',2':3,4)pyrido(1,2-c)pyrimidin-7(8H)-one, 3b,4,9,9a,11,12-hexahydro-, cis-(+-)-, (3bR,9aS)-4,5,9,9a,11,12-Hexahydro-3bH-pyrrolo[1,2-a]thieno[3',2':3,4]pyrido[1,2-c]pyrimidin-7(8H)-one, 4,5,9,9a,11,12-Hexahydro-3bH-pyrrolo[1,2-a]thieno[3',2':3,4]pyrido[1,2-c]pyrimidin-7(8H)-one
| Molecular Formula | C13H16N2OS |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.09833 |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 95846-66-5 |
|---|---|
| SMILES | C1CC(=O)N2[C@@H]1N3CCC4=C([C@H]3CC2)C=CS4 |
| InChIKey | IKPRBUPWHWVZKI-PWSUYJOCSA-N |
Product Overview
8,13-Diaza-3-thia-A-norgona-1,5(10)-dien-17-one (CAS 95846-66-5), with molecular formula C13H16N2OS and molecular weight 248.10 g/mol. IUPAC: (2S,9R)-13-thia-1,6-diazatetracyclo[7.7.0.02,6.010,14]hexadeca-10(14),11-dien-5-one.
Chemical Property Profile of 8,13-Diaza-3-thia-A-norgona-1,5(10)-dien-17-one
Property Insights of 8,13-Diaza-3-thia-A-norgona-1,5(10)-dien-17-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8,13-Diaza-3-thia-A-norgona-1,5(10)-dien-17-one. With a topological polar surface area (TPSA) of 51.8 Ų, 8,13-Diaza-3-thia-A-norgona-1,5(10)-dien-17-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8,13-Diaza-3-thia-A-norgona-1,5(10)-dien-17-one has 0 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 8,13-Diaza-3-thia-A-norgona-1,5(10)-dien-17-one?
The CAS number of 8,13-Diaza-3-thia-A-norgona-1,5(10)-dien-17-one is 95846-66-5.
What is the molecular formula of 8,13-Diaza-3-thia-A-norgona-1,5(10)-dien-17-one?
The molecular formula of 8,13-Diaza-3-thia-A-norgona-1,5(10)-dien-17-one is C13H16N2OS.
What is the molecular weight of 8,13-Diaza-3-thia-A-norgona-1,5(10)-dien-17-one?
The molecular weight of 8,13-Diaza-3-thia-A-norgona-1,5(10)-dien-17-one is 248.10 g/mol.
Where can I buy 8,13-Diaza-3-thia-A-norgona-1,5(10)-dien-17-one?
You can request a quote for 8,13-Diaza-3-thia-A-norgona-1,5(10)-dien-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,13-Diaza-3-thia-A-norgona-1,5(10)-dien-17-one?
Yes, KEHONG BIO provides custom synthesis services for 8,13-Diaza-3-thia-A-norgona-1,5(10)-dien-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.