![2-Methylpropyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate structure](/static/products/7706/77063-14-0.webp)
2-Methylpropyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
TL;DR: 2-Methylpropyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate (CAS 77063-14-0) is a chemical compound with molecular formula C18H27Cl2NO2 and molecular weight 359.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Also Known As: 2-methylpropyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate, 2-Methylpropyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate
| Molecular Formula | C18H27Cl2NO2 |
|---|---|
| Molecular Weight | 359.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 359.14188 |
| Heavy Atoms | 23 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 77063-14-0 |
|---|---|
| SMILES | CC(C)COC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | WXLINYYIRXHHLK-UHFFFAOYSA-N |
Product Overview
2-Methylpropyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate (CAS 77063-14-0), with molecular formula C18H27Cl2NO2 and molecular weight 359.14 g/mol. IUPAC: 2-methylpropyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate.
Chemical Property Profile of 2-Methylpropyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Property Insights of 2-Methylpropyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
The XLogP value of 3.4 indicates that 2-Methylpropyl 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, 2-Methylpropyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpropyl 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 2-Methylpropyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
The CAS number of 2-Methylpropyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate is 77063-14-0.
What is the molecular formula of 2-Methylpropyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
The molecular formula of 2-Methylpropyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate is C18H27Cl2NO2.
What is the molecular weight of 2-Methylpropyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
The molecular weight of 2-Methylpropyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate is 359.14 g/mol.
Where can I buy 2-Methylpropyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
You can request a quote for 2-Methylpropyl 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 2-Methylpropyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpropyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.