A3748/0158858
TL;DR: A3748/0158858 (CAS 727668-13-5) is a chemical compound with molecular formula C22H15ClF3N5OS and molecular weight 489.06 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-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Also Known As: A3748/0158858, 4,7-diamino-2-[(2-chlorophenyl)methylsulfanyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile, 4,7-diamino-2-[(2-chlorobenzyl)sulfanyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile, 4,7-DIAMINO-2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-5-[4-(TRIFLUOROMETHYL)PHENYL]-5H-PYRANO[2,3-D]PYRIMIDINE-6-CARBONITRILE
| Molecular Formula | C22H15ClF3N5OS |
|---|---|
| Molecular Weight | 489.06 g/mol |
| LogP | 5.24148 |
| Topological Polar Surface Area | 110.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.06378 |
| Heavy Atoms | 33 |
| Complexity | 1288.6693 |
Chemical Identifiers
| CAS Number | 727668-13-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NC(=C3C(C(=C(OC3=N2)N)C#N)C4=CC=C(C=C4)C(F)(F)F)N)Cl |
Product Overview
A3748/0158858 (CAS 727668-13-5), with molecular formula C22H15ClF3N5OS and molecular weight 489.06 g/mol. IUPAC: 4,7-diamino-2-[(2-chlorophenyl)methylsulfanyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile.
Chemical Property Profile of A3748/0158858
Property Insights of A3748/0158858
The XLogP value of 5.24148 indicates that A3748/0158858 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.84 Ų falls within the moderate polarity range, balancing permeability and solubility for A3748/0158858. Following Lipinski's Rule of Five, A3748/0158858 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3748/0158858?
The CAS number of A3748/0158858 is 727668-13-5.
What is the molecular formula of A3748/0158858?
The molecular formula of A3748/0158858 is C22H15ClF3N5OS.
What is the molecular weight of A3748/0158858?
The molecular weight of A3748/0158858 is 489.06 g/mol.
Where can I buy A3748/0158858?
You can request a quote for A3748/0158858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3748/0158858?
Yes, KEHONG BIO provides custom synthesis services for A3748/0158858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.