beta-Alanine, N,N-bis(2-chloroethyl)-, 4-methoxyphenyl ester
TL;DR: beta-Alanine, N,N-bis(2-chloroethyl)-, 4-methoxyphenyl ester (CAS 15113-40-3) is a chemical compound with molecular formula C14H19Cl2NO3 and molecular weight 319.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) 3-[bis(2-chloroethyl)amino]propanoate
Also Known As: 4-Methoxyphenyl N,N-bis(2-chloroethyl)-beta-alanine, beta-Alanine, N,N-bis(2-chloroethyl)-, 4-methoxyphenyl ester, 4-methoxyphenyl N,N-bis(2-chloroethyl)-beta-alaninate, (4-methoxyphenyl) 3-[bis(2-chloroethyl)amino]propanoate, .beta.-Alanine, N,N-bis(2-chloroethyl)-, 4-methoxyphenyl ester
| Molecular Formula | C14H19Cl2NO3 |
|---|---|
| Molecular Weight | 319.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 319.0742 |
| Heavy Atoms | 20 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 15113-40-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC(=O)CCN(CCCl)CCCl |
| InChIKey | FFKWFLFLLQHXSM-UHFFFAOYSA-N |
Product Overview
beta-Alanine, N,N-bis(2-chloroethyl)-, 4-methoxyphenyl ester (CAS 15113-40-3), with molecular formula C14H19Cl2NO3 and molecular weight 319.07 g/mol. IUPAC: (4-methoxyphenyl) 3-[bis(2-chloroethyl)amino]propanoate.
Chemical Property Profile of beta-Alanine, N,N-bis(2-chloroethyl)-, 4-methoxyphenyl ester
Property Insights of beta-Alanine, N,N-bis(2-chloroethyl)-, 4-methoxyphenyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N,N-bis(2-chloroethyl)-, 4-methoxyphenyl ester. With a topological polar surface area (TPSA) of 38.8 Ų, beta-Alanine, N,N-bis(2-chloroethyl)-, 4-methoxyphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Alanine, N,N-bis(2-chloroethyl)-, 4-methoxyphenyl ester has 0 hydrogen bond donor(s) and 4 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 beta-Alanine, N,N-bis(2-chloroethyl)-, 4-methoxyphenyl ester?
The CAS number of beta-Alanine, N,N-bis(2-chloroethyl)-, 4-methoxyphenyl ester is 15113-40-3.
What is the molecular formula of beta-Alanine, N,N-bis(2-chloroethyl)-, 4-methoxyphenyl ester?
The molecular formula of beta-Alanine, N,N-bis(2-chloroethyl)-, 4-methoxyphenyl ester is C14H19Cl2NO3.
What is the molecular weight of beta-Alanine, N,N-bis(2-chloroethyl)-, 4-methoxyphenyl ester?
The molecular weight of beta-Alanine, N,N-bis(2-chloroethyl)-, 4-methoxyphenyl ester is 319.07 g/mol.
Where can I buy beta-Alanine, N,N-bis(2-chloroethyl)-, 4-methoxyphenyl ester?
You can request a quote for beta-Alanine, N,N-bis(2-chloroethyl)-, 4-methoxyphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, N,N-bis(2-chloroethyl)-, 4-methoxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N,N-bis(2-chloroethyl)-, 4-methoxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.