DL-Phenylalanine, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-, ethyl ester, monohydrobromide
TL;DR: DL-Phenylalanine, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-, ethyl ester, monohydrobromide (CAS 70569-42-5) is a chemical compound with molecular formula C18H28BrCl2N3O3 and molecular weight 483.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-(3-aminopropanoylamino)-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate;hydrobromide
Also Known As: DL-Phenylalanine, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-, ethyl ester, monohydrobromide, N-beta-Alanyl-4-(bis(2-chloroethyl)amino)-DL-phenylalanine ethyl ester monohydrobromide, Ethyl beta-alanyl-4-[bis(2-chloroethyl)amino]-L-phenylalaninate--hydrogen bromide (1/1), ethyl (2S)-2-(3-aminopropanoylamino)-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate hydrobromide, RefChem:339317
| Molecular Formula | C18H28BrCl2N3O3 |
|---|---|
| Molecular Weight | 483.07 g/mol |
| LogP | 2.4877 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 483.06912 |
| Heavy Atoms | 27 |
| Complexity | 555.2878 |
Chemical Identifiers
| CAS Number | 70569-42-5 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)CCN.Br |
Product Overview
DL-Phenylalanine, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-, ethyl ester, monohydrobromide (CAS 70569-42-5), with molecular formula C18H28BrCl2N3O3 and molecular weight 483.07 g/mol. IUPAC: ethyl (2S)-2-(3-aminopropanoylamino)-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate;hydrobromide.
Chemical Property Profile of DL-Phenylalanine, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-, ethyl ester, monohydrobromide
Property Insights of DL-Phenylalanine, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-, ethyl ester, monohydrobromide
The XLogP value of 2.4877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DL-Phenylalanine, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-, ethyl ester, monohydrobromide. The TPSA of 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for DL-Phenylalanine, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-, ethyl ester, monohydrobromide. Following Lipinski's Rule of Five, DL-Phenylalanine, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-, 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 DL-Phenylalanine, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-, ethyl ester, monohydrobromide?
The CAS number of DL-Phenylalanine, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-, ethyl ester, monohydrobromide is 70569-42-5.
What is the molecular formula of DL-Phenylalanine, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-, ethyl ester, monohydrobromide?
The molecular formula of DL-Phenylalanine, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-, ethyl ester, monohydrobromide is C18H28BrCl2N3O3.
What is the molecular weight of DL-Phenylalanine, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-, ethyl ester, monohydrobromide?
The molecular weight of DL-Phenylalanine, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-, ethyl ester, monohydrobromide is 483.07 g/mol.
Where can I buy DL-Phenylalanine, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-, ethyl ester, monohydrobromide?
You can request a quote for DL-Phenylalanine, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-, 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, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-, ethyl ester, monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for DL-Phenylalanine, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-, ethyl ester, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.