AN-512/12673279
TL;DR: AN-512/12673279 (CAS 351006-99-0) is a chemical compound with molecular formula C13H14N4OS2 and molecular weight 306.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]acetonitrile
Also Known As: AN-512/12673279, [(4-amino-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile, 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetonitrile, 2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile
| Molecular Formula | C13H14N4OS2 |
|---|---|
| Molecular Weight | 306.06 g/mol |
| LogP | 2.74048 |
| Topological Polar Surface Area | 84.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.0609 |
| Heavy Atoms | 20 |
| Complexity | 717.20996 |
Chemical Identifiers
| CAS Number | 351006-99-0 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=NC(=NC(=C23)N)SCC#N)C |
Product Overview
AN-512/12673279 (CAS 351006-99-0), with molecular formula C13H14N4OS2 and molecular weight 306.06 g/mol. IUPAC: 2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]acetonitrile.
Chemical Property Profile of AN-512/12673279
Property Insights of AN-512/12673279
The XLogP value of 2.74048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-512/12673279. The TPSA of 84.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-512/12673279. Following Lipinski's Rule of Five, AN-512/12673279 has 1 hydrogen bond donor(s) and 7 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-512/12673279?
The CAS number of AN-512/12673279 is 351006-99-0.
What is the molecular formula of AN-512/12673279?
The molecular formula of AN-512/12673279 is C13H14N4OS2.
What is the molecular weight of AN-512/12673279?
The molecular weight of AN-512/12673279 is 306.06 g/mol.
Where can I buy AN-512/12673279?
You can request a quote for AN-512/12673279 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/12673279?
Yes, KEHONG BIO provides custom synthesis services for AN-512/12673279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.