![Hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate structure](/static/products/7706/77063-13-9.webp)
Hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
TL;DR: Hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate (CAS 77063-13-9) is a chemical compound with molecular formula C20H31Cl2NO2 and molecular weight 387.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Also Known As: hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate, HEXYL 4-{4-[BIS(2-CHLOROETHYL)AMINO]PHENYL}BUTANOATE
| Molecular Formula | C20H31Cl2NO2 |
|---|---|
| Molecular Weight | 387.17 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 387.1732 |
| Heavy Atoms | 25 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 77063-13-9 |
|---|---|
| SMILES | CCCCCCOC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | MIDIOUVFZRVKPZ-UHFFFAOYSA-N |
Product Overview
Hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate (CAS 77063-13-9), with molecular formula C20H31Cl2NO2 and molecular weight 387.17 g/mol. IUPAC: hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate.
Chemical Property Profile of Hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Property Insights of Hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
The XLogP value of 4.4 indicates that Hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate 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 Hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
The CAS number of Hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate is 77063-13-9.
What is the molecular formula of Hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
The molecular formula of Hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate is C20H31Cl2NO2.
What is the molecular weight of Hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
The molecular weight of Hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate is 387.17 g/mol.
Where can I buy Hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
You can request a quote for Hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.