![Benzyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate structure](/static/products/3304/33043-47-9.webp)
Benzyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate
TL;DR: Benzyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate (CAS 33043-47-9) is a chemical compound with molecular formula C21H26Cl2N2O3 and molecular weight 424.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate
Also Known As: Alanine, benzyl ester, dihydrochloride, DL-, Benzyl 3-[bis(2-chloroethyl)amino]-O-methyltyrosinate, benzyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate
| Molecular Formula | C21H26Cl2N2O3 |
|---|---|
| Molecular Weight | 424.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 64.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 424.13205 |
| Heavy Atoms | 28 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 33043-47-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)N)N(CCCl)CCCl |
| InChIKey | WRRPDHAWWUAWQE-UHFFFAOYSA-N |
Product Overview
Benzyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate (CAS 33043-47-9), with molecular formula C21H26Cl2N2O3 and molecular weight 424.13 g/mol. IUPAC: benzyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate.
Chemical Property Profile of Benzyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate
Property Insights of Benzyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate
The XLogP value of 3.5 indicates that Benzyl 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 Benzyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate. Following Lipinski's Rule of Five, Benzyl 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 Benzyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate?
The CAS number of Benzyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate is 33043-47-9.
What is the molecular formula of Benzyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate?
The molecular formula of Benzyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate is C21H26Cl2N2O3.
What is the molecular weight of Benzyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate?
The molecular weight of Benzyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate is 424.13 g/mol.
Where can I buy Benzyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate?
You can request a quote for Benzyl 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 Benzyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 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.