DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-DL-valyl-, ethyl ester, monohydrobromide
TL;DR: DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-DL-valyl-, ethyl ester, monohydrobromide (CAS 68524-14-1) is a chemical compound with molecular formula C20H32BrCl2N3O3 and molecular weight 511.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate;hydrobromide
Also Known As: DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-DL-valyl-, ethyl ester, monohydrobromide, 4-(Bis(2-chloroethyl)amino)-N-DL-valyl-DL-phenylalanine ethyl ester monohydrobromide, Ethyl L-valyl-4-[bis(2-chloroethyl)amino]-L-phenylalaninate--hydrogen bromide (1/1), ethyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate hydrobromide, RefChem:339305
| Molecular Formula | C20H32BrCl2N3O3 |
|---|---|
| Molecular Weight | 511.10 g/mol |
| LogP | 3.1222 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 511.1004 |
| Heavy Atoms | 29 |
| Complexity | 611.4939 |
Chemical Identifiers
| CAS Number | 68524-14-1 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)[C@H](C(C)C)N.Br |
Product Overview
DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-DL-valyl-, ethyl ester, monohydrobromide (CAS 68524-14-1), with molecular formula C20H32BrCl2N3O3 and molecular weight 511.10 g/mol. IUPAC: ethyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate;hydrobromide.
Chemical Property Profile of DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-DL-valyl-, ethyl ester, monohydrobromide
Property Insights of DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-DL-valyl-, ethyl ester, monohydrobromide
The XLogP value of 3.1222 indicates that DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-DL-valyl-, ethyl ester, monohydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-DL-valyl-, ethyl ester, monohydrobromide. Following Lipinski's Rule of Five, DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-DL-valyl-, ethyl ester, monohydrobromide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-DL-valyl-, ethyl ester, monohydrobromide?
The CAS number of DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-DL-valyl-, ethyl ester, monohydrobromide is 68524-14-1.
What is the molecular formula of DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-DL-valyl-, ethyl ester, monohydrobromide?
The molecular formula of DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-DL-valyl-, ethyl ester, monohydrobromide is C20H32BrCl2N3O3.
What is the molecular weight of DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-DL-valyl-, ethyl ester, monohydrobromide?
The molecular weight of DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-DL-valyl-, ethyl ester, monohydrobromide is 511.10 g/mol.
Where can I buy DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-DL-valyl-, ethyl ester, monohydrobromide?
You can request a quote for DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-DL-valyl-, 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 DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-DL-valyl-, ethyl ester, monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-DL-valyl-, ethyl ester, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.