Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester
TL;DR: Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester (CAS 66232-30-2) is a chemical compound with molecular formula C30H51Cl2NO2 and molecular weight 527.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadecyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Also Known As: Benzeneacetic acid, octadecyl ester, octadecyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate, ACETIC ACID, 2-(N,N-BIS(2-CHLOROETHYL)AMINOPHENYL)-, OCTADECYL ESTER, 2-(N,N-Bis(2-chloroethyl)aminophenyl)acetic acid octadecyl ester, Octadecyl {4-[bis(2-chloroethyl)amino]phenyl}acetate
| Molecular Formula | C30H51Cl2NO2 |
|---|---|
| Molecular Weight | 527.33 g/mol |
| LogP | 11.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 25 |
| Exact Mass | 527.3297 |
| Heavy Atoms | 35 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 66232-30-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | XHDQZPFSXMCVDF-UHFFFAOYSA-N |
Product Overview
Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester (CAS 66232-30-2), with molecular formula C30H51Cl2NO2 and molecular weight 527.33 g/mol. IUPAC: octadecyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate.
Chemical Property Profile of Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester
Property Insights of Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester
The XLogP value of 11.8 indicates that Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester?
The CAS number of Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester is 66232-30-2.
What is the molecular formula of Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester?
The molecular formula of Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester is C30H51Cl2NO2.
What is the molecular weight of Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester?
The molecular weight of Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester is 527.33 g/mol.
Where can I buy Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester?
You can request a quote for Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.