AB01285077-01
TL;DR: AB01285077-01 (CAS 727666-86-6) is a chemical compound with molecular formula C21H15ClFN5OS and molecular weight 439.07 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-(2-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Also Known As: AB01285077-01, A3743/0158611, 4,7-diamino-2-[(2-chlorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile, 4,7-diamino-2-[(2-chlorobenzyl)sulfanyl]-5-(2-fluorophenyl)-5H-pyrano[2,3-d]pyrimidin-6-yl cyanide, 4,7-diamino-2-[(2-chlorobenzyl)sulfanyl]-5-(2-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
| Molecular Formula | C21H15ClFN5OS |
|---|---|
| Molecular Weight | 439.07 g/mol |
| LogP | 4.36178 |
| Topological Polar Surface Area | 110.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.067 |
| Heavy Atoms | 30 |
| Complexity | 1210.2413 |
Chemical Identifiers
| CAS Number | 727666-86-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NC(=C3C(C(=C(OC3=N2)N)C#N)C4=CC=CC=C4F)N)Cl |
Product Overview
AB01285077-01 (CAS 727666-86-6), with molecular formula C21H15ClFN5OS and molecular weight 439.07 g/mol. IUPAC: 4,7-diamino-2-[(2-chlorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile.
Chemical Property Profile of AB01285077-01
Property Insights of AB01285077-01
The XLogP value of 4.36178 indicates that AB01285077-01 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 AB01285077-01. Following Lipinski's Rule of Five, AB01285077-01 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 AB01285077-01?
The CAS number of AB01285077-01 is 727666-86-6.
What is the molecular formula of AB01285077-01?
The molecular formula of AB01285077-01 is C21H15ClFN5OS.
What is the molecular weight of AB01285077-01?
The molecular weight of AB01285077-01 is 439.07 g/mol.
Where can I buy AB01285077-01?
You can request a quote for AB01285077-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01285077-01?
Yes, KEHONG BIO provides custom synthesis services for AB01285077-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.