1,6-diamino-4-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile
TL;DR: 1,6-diamino-4-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile (CAS 865660-13-5) is a chemical compound with molecular formula C14H10ClN5O2 and molecular weight 315.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-diamino-4-(3-chloro-4-methoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile
Also Known As: 1,6-diamino-4-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile, 3X-0821, 1,2-diamino-4-(3-chloro-4-methoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile, 1,6-diamino-4-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile
| Molecular Formula | C14H10ClN5O2 |
|---|---|
| Molecular Weight | 315.05 g/mol |
| LogP | 1.21666 |
| Topological Polar Surface Area | 130.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.0523 |
| Heavy Atoms | 22 |
| Complexity | 905.4053 |
Chemical Identifiers
| CAS Number | 865660-13-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=C(C(=O)N(C(=C2C#N)N)N)C#N)Cl |
Product Overview
1,6-diamino-4-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile (CAS 865660-13-5), with molecular formula C14H10ClN5O2 and molecular weight 315.05 g/mol. IUPAC: 1,2-diamino-4-(3-chloro-4-methoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile.
Chemical Property Profile of 1,6-diamino-4-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile
Property Insights of 1,6-diamino-4-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile
The XLogP value of 1.21666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-diamino-4-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile. The TPSA of 130.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,6-diamino-4-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile. Following Lipinski's Rule of Five, 1,6-diamino-4-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile has 2 hydrogen bond donor(s) and 6 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 1,6-diamino-4-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile?
The CAS number of 1,6-diamino-4-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile is 865660-13-5.
What is the molecular formula of 1,6-diamino-4-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile?
The molecular formula of 1,6-diamino-4-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile is C14H10ClN5O2.
What is the molecular weight of 1,6-diamino-4-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile?
The molecular weight of 1,6-diamino-4-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile is 315.05 g/mol.
Where can I buy 1,6-diamino-4-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile?
You can request a quote for 1,6-diamino-4-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-diamino-4-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,6-diamino-4-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.