![Pentyl 3-[bis(2-chloroethyl)amino]prop-2-enoate structure](/static/products/203/20329-16-2.png)
Pentyl 3-[bis(2-chloroethyl)amino]prop-2-enoate
TL;DR: Pentyl 3-[bis(2-chloroethyl)amino]prop-2-enoate (CAS 20329-16-2) is a chemical compound with molecular formula C12H21Cl2NO2 and molecular weight 281.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 3-[bis(2-chloroethyl)amino]prop-2-enoate
Also Known As: pentyl 3-[bis(2-chloroethyl)amino]prop-2-enoate, 2-Propenoic acid, 3-[bis(2-chloroethyl)amino]-, pentyl ester
| Molecular Formula | C12H21Cl2NO2 |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 281.09494 |
| Heavy Atoms | 17 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 20329-16-2 |
|---|---|
| SMILES | CCCCCOC(=O)C=CN(CCCl)CCCl |
| InChIKey | SSRCWMRRMUVHTK-UHFFFAOYSA-N |
Product Overview
Pentyl 3-[bis(2-chloroethyl)amino]prop-2-enoate (CAS 20329-16-2), with molecular formula C12H21Cl2NO2 and molecular weight 281.09 g/mol. IUPAC: pentyl 3-[bis(2-chloroethyl)amino]prop-2-enoate.
Chemical Property Profile of Pentyl 3-[bis(2-chloroethyl)amino]prop-2-enoate
Property Insights of Pentyl 3-[bis(2-chloroethyl)amino]prop-2-enoate
The XLogP value of 3.5 indicates that Pentyl 3-[bis(2-chloroethyl)amino]prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Pentyl 3-[bis(2-chloroethyl)amino]prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 3-[bis(2-chloroethyl)amino]prop-2-enoate has 0 hydrogen bond donor(s) and 3 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 Pentyl 3-[bis(2-chloroethyl)amino]prop-2-enoate?
The CAS number of Pentyl 3-[bis(2-chloroethyl)amino]prop-2-enoate is 20329-16-2.
What is the molecular formula of Pentyl 3-[bis(2-chloroethyl)amino]prop-2-enoate?
The molecular formula of Pentyl 3-[bis(2-chloroethyl)amino]prop-2-enoate is C12H21Cl2NO2.
What is the molecular weight of Pentyl 3-[bis(2-chloroethyl)amino]prop-2-enoate?
The molecular weight of Pentyl 3-[bis(2-chloroethyl)amino]prop-2-enoate is 281.09 g/mol.
Where can I buy Pentyl 3-[bis(2-chloroethyl)amino]prop-2-enoate?
You can request a quote for Pentyl 3-[bis(2-chloroethyl)amino]prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 3-[bis(2-chloroethyl)amino]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 3-[bis(2-chloroethyl)amino]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.