A3776/0160260
TL;DR: A3776/0160260 (CAS 727679-02-9) is a chemical compound with molecular formula C16H13Cl2N5OS and molecular weight 393.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-diamino-5-(2,6-dichlorophenyl)-2-ethylsulfanyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Also Known As: A3776/0160260, 4,7-diamino-5-(2,6-dichlorophenyl)-2-ethylsulfanyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile, 4,7-DIAMINO-5-(2,6-DICHLOROPHENYL)-2-(ETHYLSULFANYL)-5H-PYRANO[2,3-D]PYRIMIDIN-6-YL CYANIDE, 4,7-diamino-5-(2,6-dichlorophenyl)-2-(ethylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
| Molecular Formula | C16H13Cl2N5OS |
|---|---|
| Molecular Weight | 393.02 g/mol |
| LogP | 3.69578 |
| Topological Polar Surface Area | 110.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.0218 |
| Heavy Atoms | 25 |
| Complexity | 905.22156 |
Chemical Identifiers
| CAS Number | 727679-02-9 |
|---|---|
| SMILES | CCSC1=NC(=C2C(C(=C(OC2=N1)N)C#N)C3=C(C=CC=C3Cl)Cl)N |
Product Overview
A3776/0160260 (CAS 727679-02-9), with molecular formula C16H13Cl2N5OS and molecular weight 393.02 g/mol. IUPAC: 4,7-diamino-5-(2,6-dichlorophenyl)-2-ethylsulfanyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile.
Chemical Property Profile of A3776/0160260
Property Insights of A3776/0160260
The XLogP value of 3.69578 indicates that A3776/0160260 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 A3776/0160260. Following Lipinski's Rule of Five, A3776/0160260 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 A3776/0160260?
The CAS number of A3776/0160260 is 727679-02-9.
What is the molecular formula of A3776/0160260?
The molecular formula of A3776/0160260 is C16H13Cl2N5OS.
What is the molecular weight of A3776/0160260?
The molecular weight of A3776/0160260 is 393.02 g/mol.
Where can I buy A3776/0160260?
You can request a quote for A3776/0160260 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3776/0160260?
Yes, KEHONG BIO provides custom synthesis services for A3776/0160260 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.