Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenoxy)-
TL;DR: Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenoxy)- (CAS 92318-13-3) is a chemical compound with molecular formula C14H19Cl2NO3 and molecular weight 319.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[bis(2-chloroethyl)amino]phenoxy]butanoic acid
Also Known As: BUTYRIC ACID, 4-(p-(BIS(2-CHLOROETHYL)AMINO)PHENOXY)-, 4-(p-(Bis(2-chloroethyl)amino)phenoxy)butyric acid, 4-[4-[bis(2-chloroethyl)amino]phenoxy]butanoic acid, 4-13-00-01049 (Beilstein Handbook Reference), 4-{4-[bis(2-chloroethyl)amino]phenoxy}butanoic acid
| Molecular Formula | C14H19Cl2NO3 |
|---|---|
| Molecular Weight | 319.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 319.0742 |
| Heavy Atoms | 20 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 92318-13-3 |
|---|---|
| SMILES | C1=CC(=CC=C1N(CCCl)CCCl)OCCCC(=O)O |
| InChIKey | TYQMDPHMWGNQLJ-UHFFFAOYSA-N |
Product Overview
Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenoxy)- (CAS 92318-13-3), with molecular formula C14H19Cl2NO3 and molecular weight 319.07 g/mol. IUPAC: 4-[4-[bis(2-chloroethyl)amino]phenoxy]butanoic acid.
Chemical Property Profile of Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenoxy)-
Property Insights of Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenoxy)-
The XLogP value of 3.1 indicates that Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenoxy)- has 1 hydrogen bond donor(s) and 4 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 Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenoxy)-?
The CAS number of Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenoxy)- is 92318-13-3.
What is the molecular formula of Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenoxy)-?
The molecular formula of Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenoxy)- is C14H19Cl2NO3.
What is the molecular weight of Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenoxy)-?
The molecular weight of Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenoxy)- is 319.07 g/mol.
Where can I buy Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenoxy)-?
You can request a quote for Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.