AN-512/12673361
TL;DR: AN-512/12673361 (CAS 353762-74-0) is a chemical compound with molecular formula C19H16N4O3S2 and molecular weight 412.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(8-oxo-7-phenyl-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),3,5,10(14)-tetraen-3-yl)sulfanyl]acetate
Also Known As: AN-512/12673361, methyl [(5-oxo-4-phenyl-4,5,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate, methyl 2-((5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetate
| Molecular Formula | C19H16N4O3S2 |
|---|---|
| Molecular Weight | 412.07 g/mol |
| LogP | 2.8487 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.06638 |
| Heavy Atoms | 28 |
| Complexity | 1273.5497 |
Chemical Identifiers
| CAS Number | 353762-74-0 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)CCC4)C(=O)N2C5=CC=CC=C5 |
Product Overview
AN-512/12673361 (CAS 353762-74-0), with molecular formula C19H16N4O3S2 and molecular weight 412.07 g/mol. IUPAC: methyl 2-[(8-oxo-7-phenyl-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),3,5,10(14)-tetraen-3-yl)sulfanyl]acetate.
Chemical Property Profile of AN-512/12673361
Property Insights of AN-512/12673361
The XLogP value of 2.8487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-512/12673361. The TPSA of 78.49 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-512/12673361. Following Lipinski's Rule of Five, AN-512/12673361 has 0 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-512/12673361?
The CAS number of AN-512/12673361 is 353762-74-0.
What is the molecular formula of AN-512/12673361?
The molecular formula of AN-512/12673361 is C19H16N4O3S2.
What is the molecular weight of AN-512/12673361?
The molecular weight of AN-512/12673361 is 412.07 g/mol.
Where can I buy AN-512/12673361?
You can request a quote for AN-512/12673361 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/12673361?
Yes, KEHONG BIO provides custom synthesis services for AN-512/12673361 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.