A3742/0158587
TL;DR: A3742/0158587 (CAS 727666-63-9) is a chemical compound with molecular formula C15H12FN5OS and molecular weight 329.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-diamino-5-(3-fluorophenyl)-2-methylsulfanyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Also Known As: A3742/0158587, 4,7-diamino-5-(3-fluorophenyl)-2-methylsulfanyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile, 4,7-diamino-5-(3-fluorophenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidin-6-yl cyanide, 5H-Pyrano[2,3-d]pyrimidine-6-carbonitrile, 4,7-diamino-5-(3-fluorophenyl)-2-(methylthio)-, 4,7-diamino-5-(3-fluorophenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
| Molecular Formula | C15H12FN5OS |
|---|---|
| Molecular Weight | 329.07 g/mol |
| LogP | 2.13798 |
| Topological Polar Surface Area | 110.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.07465 |
| Heavy Atoms | 23 |
| Complexity | 861.4311 |
Chemical Identifiers
| CAS Number | 727666-63-9 |
|---|---|
| SMILES | CSC1=NC(=C2C(C(=C(OC2=N1)N)C#N)C3=CC(=CC=C3)F)N |
Product Overview
A3742/0158587 (CAS 727666-63-9), with molecular formula C15H12FN5OS and molecular weight 329.07 g/mol. IUPAC: 4,7-diamino-5-(3-fluorophenyl)-2-methylsulfanyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile.
Chemical Property Profile of A3742/0158587
Property Insights of A3742/0158587
The XLogP value of 2.13798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3742/0158587. The TPSA of 110.84 Ų falls within the moderate polarity range, balancing permeability and solubility for A3742/0158587. Following Lipinski's Rule of Five, A3742/0158587 has 2 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 A3742/0158587?
The CAS number of A3742/0158587 is 727666-63-9.
What is the molecular formula of A3742/0158587?
The molecular formula of A3742/0158587 is C15H12FN5OS.
What is the molecular weight of A3742/0158587?
The molecular weight of A3742/0158587 is 329.07 g/mol.
Where can I buy A3742/0158587?
You can request a quote for A3742/0158587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3742/0158587?
Yes, KEHONG BIO provides custom synthesis services for A3742/0158587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.