Alanine, ethyl ester, monohydrochloride, L-
TL;DR: Alanine, ethyl ester, monohydrochloride, L- (CAS 3331-02-0) is a chemical compound with molecular formula C18H27Cl2N3O4 and molecular weight 419.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate
Also Known As: Alanine, ethyl ester, monohydrochloride, L-, Ethyl seryl-4-[bis(2-chloroethyl)amino]phenylalaninate, ethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate, Alanine, 3-[p-[bis(2-chloroethyl)amino]phenyl]-N-L-seryl-, ethyl ester, monohydrochloride, L-
| Molecular Formula | C18H27Cl2N3O4 |
|---|---|
| Molecular Weight | 419.14 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 419.13785 |
| Heavy Atoms | 27 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 3331-02-0 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(CO)N |
| InChIKey | BNHOUMBVZFZMRQ-UHFFFAOYSA-N |
Product Overview
Alanine, ethyl ester, monohydrochloride, L- (CAS 3331-02-0), with molecular formula C18H27Cl2N3O4 and molecular weight 419.14 g/mol. IUPAC: ethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate.
Chemical Property Profile of Alanine, ethyl ester, monohydrochloride, L-
Property Insights of Alanine, ethyl ester, monohydrochloride, L-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alanine, ethyl ester, monohydrochloride, L-. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, ethyl ester, monohydrochloride, L-. Following Lipinski's Rule of Five, Alanine, ethyl ester, monohydrochloride, L- has 3 hydrogen bond donor(s) and 6 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 Alanine, ethyl ester, monohydrochloride, L-?
The CAS number of Alanine, ethyl ester, monohydrochloride, L- is 3331-02-0.
What is the molecular formula of Alanine, ethyl ester, monohydrochloride, L-?
The molecular formula of Alanine, ethyl ester, monohydrochloride, L- is C18H27Cl2N3O4.
What is the molecular weight of Alanine, ethyl ester, monohydrochloride, L-?
The molecular weight of Alanine, ethyl ester, monohydrochloride, L- is 419.14 g/mol.
Where can I buy Alanine, ethyl ester, monohydrochloride, L-?
You can request a quote for Alanine, ethyl ester, monohydrochloride, L- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, ethyl ester, monohydrochloride, L-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, ethyl ester, monohydrochloride, L- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.