N-(amino(imino)methyl)-3-phenyl--alanine
TL;DR: N-(amino(imino)methyl)-3-phenyl--alanine (CAS 147863-96-5) is a chemical compound with molecular formula C10H13N3O2 and molecular weight 207.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diaminomethylideneamino)-3-phenylpropanoic acid
Also Known As: NCI60_004130, N-(amino(imino)methyl)-3-phenyl--alanine, 3{[amino(imino)methyl]amino}-3-phenylpropanoic acid, 3-(diaminomethylideneamino)-3-phenylpropanoic acid, 3-[(diaminomethylidene)amino]-3-phenylpropanoic acid
| Molecular Formula | C10H13N3O2 |
|---|---|
| Molecular Weight | 207.10 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.10077 |
| Heavy Atoms | 15 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 147863-96-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)O)N=C(N)N |
| InChIKey | GWIWNJDXMZQSHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(amino(imino)methyl)-3-phenyl--alanine (CAS 147863-96-5), with molecular formula C10H13N3O2 and molecular weight 207.10 g/mol. IUPAC: 3-(diaminomethylideneamino)-3-phenylpropanoic acid.
Chemical Property Profile of N-(amino(imino)methyl)-3-phenyl--alanine
Property Insights of N-(amino(imino)methyl)-3-phenyl--alanine
The XLogP value of -0.1 indicates that N-(amino(imino)methyl)-3-phenyl--alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(amino(imino)methyl)-3-phenyl--alanine. Following Lipinski's Rule of Five, N-(amino(imino)methyl)-3-phenyl--alanine has 3 hydrogen bond donor(s) and 3 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 N-(amino(imino)methyl)-3-phenyl--alanine?
The CAS number of N-(amino(imino)methyl)-3-phenyl--alanine is 147863-96-5.
What is the molecular formula of N-(amino(imino)methyl)-3-phenyl--alanine?
The molecular formula of N-(amino(imino)methyl)-3-phenyl--alanine is C10H13N3O2.
What is the molecular weight of N-(amino(imino)methyl)-3-phenyl--alanine?
The molecular weight of N-(amino(imino)methyl)-3-phenyl--alanine is 207.10 g/mol.
Where can I buy N-(amino(imino)methyl)-3-phenyl--alanine?
You can request a quote for N-(amino(imino)methyl)-3-phenyl--alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(amino(imino)methyl)-3-phenyl--alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(amino(imino)methyl)-3-phenyl--alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.