4-氰基-N-(4,6-二氨基嘧啶-5-基)苯甲酰胺
TL;DR: 4-氰基-N-(4,6-二氨基嘧啶-5-基)苯甲酰胺 (CAS 501658-43-1) is a chemical compound with molecular formula C12H10N6O and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氰基-N-(4,6-二氨基嘧啶-5-基)苯甲酰胺
4-cyano-N-(4,6-diaminopyrimidin-5-yl)benzamide
Also Known As: Benzamide,4-cyano-N- -, 4-cyano-N-(4,6-diaminopyrimidin-5-yl)benzamide, 4-Cyano-N-(4,6-diamino-5-pyrimidinyl)benzamide, BENZAMIDE, 4-CYANO-N-(4,6-DIAMINO-5-PYRIMIDINYL)-, 2,5-DI-TERT-BUTYLNITROBENZENE---WHITE CRYSTALLINE
| Molecular Formula | C12H10N6O |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.09161 |
| Heavy Atoms | 19 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 501658-43-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C(=O)NC2=C(N=CN=C2N)N |
| InChIKey | JNFQYEHJQBAWJI-UHFFFAOYSA-N |
Product Overview
4-氰基-N-(4,6-二氨基嘧啶-5-基)苯甲酰胺 (CAS 501658-43-1), with molecular formula C12H10N6O and molecular weight 254.09 g/mol. IUPAC: 4-cyano-N-(4,6-diaminopyrimidin-5-yl)benzamide.
Chemical Property Profile of 4-氰基-N-(4,6-二氨基嘧啶-5-基)苯甲酰胺
Property Insights of 4-氰基-N-(4,6-二氨基嘧啶-5-基)苯甲酰胺
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氰基-N-(4,6-二氨基嘧啶-5-基)苯甲酰胺. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氰基-N-(4,6-二氨基嘧啶-5-基)苯甲酰胺. Following Lipinski's Rule of Five, 4-氰基-N-(4,6-二氨基嘧啶-5-基)苯甲酰胺 has 3 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 4-氰基-N-(4,6-二氨基嘧啶-5-基)苯甲酰胺?
The CAS number of 4-氰基-N-(4,6-二氨基嘧啶-5-基)苯甲酰胺 is 501658-43-1.
What is the molecular formula of 4-氰基-N-(4,6-二氨基嘧啶-5-基)苯甲酰胺?
The molecular formula of 4-氰基-N-(4,6-二氨基嘧啶-5-基)苯甲酰胺 is C12H10N6O.
What is the molecular weight of 4-氰基-N-(4,6-二氨基嘧啶-5-基)苯甲酰胺?
The molecular weight of 4-氰基-N-(4,6-二氨基嘧啶-5-基)苯甲酰胺 is 254.09 g/mol.
Where can I buy 4-氰基-N-(4,6-二氨基嘧啶-5-基)苯甲酰胺?
You can request a quote for 4-氰基-N-(4,6-二氨基嘧啶-5-基)苯甲酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氰基-N-(4,6-二氨基嘧啶-5-基)苯甲酰胺?
Yes, KEHONG BIO provides custom synthesis services for 4-氰基-N-(4,6-二氨基嘧啶-5-基)苯甲酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.