4-羧苯基甘氨酰氨基乙腈
TL;DR: 4-羧苯基甘氨酰氨基乙腈 (CAS 21826-47-1) is a chemical compound with molecular formula C11H11N3O3 and molecular weight 233.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-羧苯基甘氨酰氨基乙腈
4-[[2-(cyanomethylamino)-2-oxoethyl]amino]benzoic acid
Also Known As: 4-Carboxyphenylglycylaminoacetonitrile, p-Carboxyphenylglycylaminoacetonitrile, Carboxyphenyl glycyl aminoacetonitrile, N-(N-(4-Carboxyphenyl)glycyl)aminoacetonitrile, 2-[[N-(p-Carboxyphenyl)glycyl]amino]acetonitrile
| Molecular Formula | C11H11N3O3 |
|---|---|
| Molecular Weight | 233.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 233.08005 |
| Heavy Atoms | 17 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 21826-47-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NCC(=O)NCC#N |
| InChIKey | ILTWRLHXJMWZHP-UHFFFAOYSA-N |
Product Overview
4-羧苯基甘氨酰氨基乙腈 (CAS 21826-47-1), with molecular formula C11H11N3O3 and molecular weight 233.08 g/mol. IUPAC: 4-[[2-(cyanomethylamino)-2-oxoethyl]amino]benzoic acid.
Chemical Property Profile of 4-羧苯基甘氨酰氨基乙腈
Property Insights of 4-羧苯基甘氨酰氨基乙腈
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-羧苯基甘氨酰氨基乙腈. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-羧苯基甘氨酰氨基乙腈. Following Lipinski's Rule of Five, 4-羧苯基甘氨酰氨基乙腈 has 3 hydrogen bond donor(s) and 5 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-羧苯基甘氨酰氨基乙腈?
The CAS number of 4-羧苯基甘氨酰氨基乙腈 is 21826-47-1.
What is the molecular formula of 4-羧苯基甘氨酰氨基乙腈?
The molecular formula of 4-羧苯基甘氨酰氨基乙腈 is C11H11N3O3.
What is the molecular weight of 4-羧苯基甘氨酰氨基乙腈?
The molecular weight of 4-羧苯基甘氨酰氨基乙腈 is 233.08 g/mol.
Where can I buy 4-羧苯基甘氨酰氨基乙腈?
You can request a quote for 4-羧苯基甘氨酰氨基乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-羧苯基甘氨酰氨基乙腈?
Yes, KEHONG BIO provides custom synthesis services for 4-羧苯基甘氨酰氨基乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.