A3748/0158851
TL;DR: A3748/0158851 (CAS 727668-06-6) is a chemical compound with molecular formula C20H15ClN6OS and molecular weight 422.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-diamino-2-[(2-chlorophenyl)methylsulfanyl]-5-pyridin-3-yl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Also Known As: A3748/0158851, 4,7-diamino-2-[(2-chlorophenyl)methylsulfanyl]-5-pyridin-3-yl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile, 4,7-DIAMINO-2-[(2-CHLOROBENZYL)SULFANYL]-5-(3-PYRIDYL)-5H-PYRANO[2,3-D]PYRIMIDIN-6-YL CYANIDE, 4,7-diamino-2-[(2-chlorobenzyl)sulfanyl]-5-(pyridin-3-yl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
| Molecular Formula | C20H15ClN6OS |
|---|---|
| Molecular Weight | 422.07 g/mol |
| LogP | 3.61768 |
| Topological Polar Surface Area | 123.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.07166 |
| Heavy Atoms | 29 |
| Complexity | 1145.4535 |
Chemical Identifiers
| CAS Number | 727668-06-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NC(=C3C(C(=C(OC3=N2)N)C#N)C4=CN=CC=C4)N)Cl |
Product Overview
A3748/0158851 (CAS 727668-06-6), with molecular formula C20H15ClN6OS and molecular weight 422.07 g/mol. IUPAC: 4,7-diamino-2-[(2-chlorophenyl)methylsulfanyl]-5-pyridin-3-yl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile.
Chemical Property Profile of A3748/0158851
Property Insights of A3748/0158851
The XLogP value of 3.61768 indicates that A3748/0158851 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.73 Ų falls within the moderate polarity range, balancing permeability and solubility for A3748/0158851. Following Lipinski's Rule of Five, A3748/0158851 has 2 hydrogen bond donor(s) and 8 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 A3748/0158851?
The CAS number of A3748/0158851 is 727668-06-6.
What is the molecular formula of A3748/0158851?
The molecular formula of A3748/0158851 is C20H15ClN6OS.
What is the molecular weight of A3748/0158851?
The molecular weight of A3748/0158851 is 422.07 g/mol.
Where can I buy A3748/0158851?
You can request a quote for A3748/0158851 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3748/0158851?
Yes, KEHONG BIO provides custom synthesis services for A3748/0158851 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.