L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-glycyl-, ethyl ester, monohydrobromide
TL;DR: L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-glycyl-, ethyl ester, monohydrobromide (CAS 68524-12-9) is a chemical compound with molecular formula C17H26BrCl2N3O3 and molecular weight 469.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-[(2-aminoacetyl)amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate;hydrobromide
Also Known As: L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-glycyl-, ethyl ester, monohydrobromide, 4-(Bis(2-chloroethyl)amino)-N-glycyl-L-phenylalanine ethyl ester monohydrobromide, Ethyl glycyl-4-[bis(2-chloroethyl)amino]-L-phenylalaninate--hydrogen bromide (1/1), ethyl (2S)-2-[(2-aminoacetyl)amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate hydrobromide, RefChem:350837
| Molecular Formula | C17H26BrCl2N3O3 |
|---|---|
| Molecular Weight | 469.05 g/mol |
| LogP | 2.0976 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 469.05347 |
| Heavy Atoms | 26 |
| Complexity | 540.5596 |
Chemical Identifiers
| CAS Number | 68524-12-9 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)CN.Br |
Product Overview
L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-glycyl-, ethyl ester, monohydrobromide (CAS 68524-12-9), with molecular formula C17H26BrCl2N3O3 and molecular weight 469.05 g/mol. IUPAC: ethyl (2S)-2-[(2-aminoacetyl)amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate;hydrobromide.
Chemical Property Profile of L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-glycyl-, ethyl ester, monohydrobromide
Property Insights of L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-glycyl-, ethyl ester, monohydrobromide
The XLogP value of 2.0976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-glycyl-, ethyl ester, monohydrobromide. The TPSA of 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-glycyl-, ethyl ester, monohydrobromide. Following Lipinski's Rule of Five, L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-glycyl-, ethyl ester, monohydrobromide 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 L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-glycyl-, ethyl ester, monohydrobromide?
The CAS number of L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-glycyl-, ethyl ester, monohydrobromide is 68524-12-9.
What is the molecular formula of L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-glycyl-, ethyl ester, monohydrobromide?
The molecular formula of L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-glycyl-, ethyl ester, monohydrobromide is C17H26BrCl2N3O3.
What is the molecular weight of L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-glycyl-, ethyl ester, monohydrobromide?
The molecular weight of L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-glycyl-, ethyl ester, monohydrobromide is 469.05 g/mol.
Where can I buy L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-glycyl-, ethyl ester, monohydrobromide?
You can request a quote for L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-glycyl-, ethyl ester, monohydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-glycyl-, ethyl ester, monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-glycyl-, ethyl ester, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.