![Pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate structure](/static/products/7706/77063-19-5.webp)
Pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
TL;DR: Pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate (CAS 77063-19-5) is a chemical compound with molecular formula C19H29Cl2NO2 and molecular weight 373.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Also Known As: Benzenebutanoic acid, pentyl ester, pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate, Pentyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate
| Molecular Formula | C19H29Cl2NO2 |
|---|---|
| Molecular Weight | 373.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 373.15753 |
| Heavy Atoms | 24 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 77063-19-5 |
|---|---|
| SMILES | CCCCCOC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | BAQLWKOZSXGANT-UHFFFAOYSA-N |
Product Overview
Pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate (CAS 77063-19-5), with molecular formula C19H29Cl2NO2 and molecular weight 373.16 g/mol. IUPAC: pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate.
Chemical Property Profile of Pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Property Insights of Pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
The XLogP value of 3.8 indicates that Pentyl 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, Pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 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 Pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
The CAS number of Pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate is 77063-19-5.
What is the molecular formula of Pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
The molecular formula of Pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate is C19H29Cl2NO2.
What is the molecular weight of Pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
The molecular weight of Pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate is 373.16 g/mol.
Where can I buy Pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
You can request a quote for Pentyl 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 Pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.