![Butyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate structure](/static/products/3304/33043-45-7.webp)
Butyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate
TL;DR: Butyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate (CAS 33043-45-7) is a chemical compound with molecular formula C18H28Cl2N2O3 and molecular weight 390.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate
Also Known As: Alanine, butyl ester, dihydrochloride, DL-, butyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate, Butyl 3-[bis(2-chloroethyl)amino]-O-methyltyrosinate
| Molecular Formula | C18H28Cl2N2O3 |
|---|---|
| Molecular Weight | 390.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 64.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 390.1477 |
| Heavy Atoms | 25 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 33043-45-7 |
|---|---|
| SMILES | CCCCOC(=O)C(CC1=CC(=C(C=C1)OC)N(CCCl)CCCl)N |
| InChIKey | CSRKDRUEEQDOEP-UHFFFAOYSA-N |
Product Overview
Butyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate (CAS 33043-45-7), with molecular formula C18H28Cl2N2O3 and molecular weight 390.15 g/mol. IUPAC: butyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate.
Chemical Property Profile of Butyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate
Property Insights of Butyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate
The XLogP value of 3.7 indicates that Butyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate. Following Lipinski's Rule of Five, Butyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate 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 Butyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate?
The CAS number of Butyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate is 33043-45-7.
What is the molecular formula of Butyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate?
The molecular formula of Butyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate is C18H28Cl2N2O3.
What is the molecular weight of Butyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate?
The molecular weight of Butyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate is 390.15 g/mol.
Where can I buy Butyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate?
You can request a quote for Butyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.