N-(((2-Chloroethyl)nitrosoamino)carbonyl)phenylalanine
TL;DR: N-(((2-Chloroethyl)nitrosoamino)carbonyl)phenylalanine (CAS 52322-29-9) is a chemical compound with molecular formula C12H14ClN3O4 and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-phenylpropanoic acid
Also Known As: Alanine, DL-, ALANINE, N-(((2-CHLOROETHYL)NITROSOAMINO)CARBONYL)-3-PHENYL-, DL-, DL-Phenylalanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-, 2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-phenylpropanoic acid, N-(((2-Chloroethyl)nitrosoamino)carbonyl)-DL-phenylalanine
| Molecular Formula | C12H14ClN3O4 |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.0673 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 52322-29-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)O)NC(=O)N(CCCl)N=O |
| InChIKey | AMQOVKFPGUGUDM-UHFFFAOYSA-N |
Product Overview
N-(((2-Chloroethyl)nitrosoamino)carbonyl)phenylalanine (CAS 52322-29-9), with molecular formula C12H14ClN3O4 and molecular weight 299.07 g/mol. IUPAC: 2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of N-(((2-Chloroethyl)nitrosoamino)carbonyl)phenylalanine
Property Insights of N-(((2-Chloroethyl)nitrosoamino)carbonyl)phenylalanine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(((2-Chloroethyl)nitrosoamino)carbonyl)phenylalanine. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(((2-Chloroethyl)nitrosoamino)carbonyl)phenylalanine. Following Lipinski's Rule of Five, N-(((2-Chloroethyl)nitrosoamino)carbonyl)phenylalanine has 2 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 N-(((2-Chloroethyl)nitrosoamino)carbonyl)phenylalanine?
The CAS number of N-(((2-Chloroethyl)nitrosoamino)carbonyl)phenylalanine is 52322-29-9.
What is the molecular formula of N-(((2-Chloroethyl)nitrosoamino)carbonyl)phenylalanine?
The molecular formula of N-(((2-Chloroethyl)nitrosoamino)carbonyl)phenylalanine is C12H14ClN3O4.
What is the molecular weight of N-(((2-Chloroethyl)nitrosoamino)carbonyl)phenylalanine?
The molecular weight of N-(((2-Chloroethyl)nitrosoamino)carbonyl)phenylalanine is 299.07 g/mol.
Where can I buy N-(((2-Chloroethyl)nitrosoamino)carbonyl)phenylalanine?
You can request a quote for N-(((2-Chloroethyl)nitrosoamino)carbonyl)phenylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(((2-Chloroethyl)nitrosoamino)carbonyl)phenylalanine?
Yes, KEHONG BIO provides custom synthesis services for N-(((2-Chloroethyl)nitrosoamino)carbonyl)phenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.