Alanine, methyl ester, dihydrochloride, L-
TL;DR: Alanine, methyl ester, dihydrochloride, L- (CAS 33043-41-3) is a chemical compound with molecular formula C15H22Cl2N2O3 and molecular weight 348.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate
Also Known As: Alanine, methyl ester, dihydrochloride, L-, Alanine, 3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]-, methyl ester, dihydrochloride, L-, methyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate, METHYL 2-AMINO-3-[3-[BIS(2-CHLOROETHYL)AMINO]-4-METHOXY-PHENYL]PROPANOATE
| Molecular Formula | C15H22Cl2N2O3 |
|---|---|
| Molecular Weight | 348.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 64.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 348.10074 |
| Heavy Atoms | 22 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 33043-41-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC(C(=O)OC)N)N(CCCl)CCCl |
| InChIKey | QSGQNCHXSFTATQ-UHFFFAOYSA-N |
Product Overview
Alanine, methyl ester, dihydrochloride, L- (CAS 33043-41-3), with molecular formula C15H22Cl2N2O3 and molecular weight 348.10 g/mol. IUPAC: methyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate.
Chemical Property Profile of Alanine, methyl ester, dihydrochloride, L-
Property Insights of Alanine, methyl ester, dihydrochloride, L-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alanine, methyl ester, dihydrochloride, L-. The TPSA of 64.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, methyl ester, dihydrochloride, L-. Following Lipinski's Rule of Five, Alanine, methyl ester, dihydrochloride, L- has 1 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 Alanine, methyl ester, dihydrochloride, L-?
The CAS number of Alanine, methyl ester, dihydrochloride, L- is 33043-41-3.
What is the molecular formula of Alanine, methyl ester, dihydrochloride, L-?
The molecular formula of Alanine, methyl ester, dihydrochloride, L- is C15H22Cl2N2O3.
What is the molecular weight of Alanine, methyl ester, dihydrochloride, L-?
The molecular weight of Alanine, methyl ester, dihydrochloride, L- is 348.10 g/mol.
Where can I buy Alanine, methyl ester, dihydrochloride, L-?
You can request a quote for Alanine, methyl ester, dihydrochloride, L- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, methyl ester, dihydrochloride, L-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, methyl ester, dihydrochloride, L- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.