AN-512/12673286
TL;DR: AN-512/12673286 (CAS 314244-54-7) is a chemical compound with molecular formula C14H13N3OS2 and molecular weight 303.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetonitrile
Also Known As: AN-512/12673286, {[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetonitrile, [(3-ALLYL-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETONITRILE, 2-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetonitrile, 2-(4-oxo-3-prop-2-enyl-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5-b]thi ophen-2-ylthio)ethanenitrile
| Molecular Formula | C14H13N3OS2 |
|---|---|
| Molecular Weight | 303.05 g/mol |
| LogP | 2.74838 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.05002 |
| Heavy Atoms | 20 |
| Complexity | 782.2836 |
Chemical Identifiers
| CAS Number | 314244-54-7 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC#N)SC3=C2CCC3 |
Product Overview
AN-512/12673286 (CAS 314244-54-7), with molecular formula C14H13N3OS2 and molecular weight 303.05 g/mol. IUPAC: 2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetonitrile.
Chemical Property Profile of AN-512/12673286
Property Insights of AN-512/12673286
The XLogP value of 2.74838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-512/12673286. With a topological polar surface area (TPSA) of 58.68 Ų, AN-512/12673286 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-512/12673286 has 0 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 AN-512/12673286?
The CAS number of AN-512/12673286 is 314244-54-7.
What is the molecular formula of AN-512/12673286?
The molecular formula of AN-512/12673286 is C14H13N3OS2.
What is the molecular weight of AN-512/12673286?
The molecular weight of AN-512/12673286 is 303.05 g/mol.
Where can I buy AN-512/12673286?
You can request a quote for AN-512/12673286 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/12673286?
Yes, KEHONG BIO provides custom synthesis services for AN-512/12673286 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.