Glycerol-BCAPAA-ester
TL;DR: Glycerol-BCAPAA-ester (CAS 38358-06-4) is a chemical compound with molecular formula C27H34Cl4N2O5 and molecular weight 606.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]oxy-2-hydroxypropyl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Also Known As: Glycerol-BCAPAA-ester, Acetic acid, (p-(bis(2-chloroethyl)amino)phenyl)-, 2-hydroxy-1,3-propanediyl ester, (p-(Bis(2-chloroethyl)amino)phenyl)acetic acid 2-hydroxy-1,3-propanediyl ester, Bis(p-(bis(2-chloroethyl)amino)phenylacetic ACID)2-hydroxy-1,3-propanediyl ester, Glycerol-1,3-di-p-(N,N'-bis(2-chloroethyl)amino)phenyl acetate
| Molecular Formula | C27H34Cl4N2O5 |
|---|---|
| Molecular Weight | 606.12 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 20 |
| Exact Mass | 608.11926 |
| Heavy Atoms | 38 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 38358-06-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)OCC(COC(=O)CC2=CC=C(C=C2)N(CCCl)CCCl)O)N(CCCl)CCCl |
| InChIKey | TUMJLXBPWBHUJA-UHFFFAOYSA-N |
Product Overview
Glycerol-BCAPAA-ester (CAS 38358-06-4), with molecular formula C27H34Cl4N2O5 and molecular weight 606.12 g/mol. IUPAC: [3-[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]oxy-2-hydroxypropyl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate.
Chemical Property Profile of Glycerol-BCAPAA-ester
Property Insights of Glycerol-BCAPAA-ester
The XLogP value of 5.2 indicates that Glycerol-BCAPAA-ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Glycerol-BCAPAA-ester. Following Lipinski's Rule of Five, Glycerol-BCAPAA-ester has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glycerol-BCAPAA-ester?
The CAS number of Glycerol-BCAPAA-ester is 38358-06-4.
What is the molecular formula of Glycerol-BCAPAA-ester?
The molecular formula of Glycerol-BCAPAA-ester is C27H34Cl4N2O5.
What is the molecular weight of Glycerol-BCAPAA-ester?
The molecular weight of Glycerol-BCAPAA-ester is 606.12 g/mol.
Where can I buy Glycerol-BCAPAA-ester?
You can request a quote for Glycerol-BCAPAA-ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glycerol-BCAPAA-ester?
Yes, KEHONG BIO provides custom synthesis services for Glycerol-BCAPAA-ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.