Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenoxy)-
TL;DR: Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenoxy)- (CAS 92700-02-2) is a chemical compound with molecular formula C15H21Cl2NO3 and molecular weight 333.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-[bis(2-chloroethyl)amino]phenoxy]pentanoic acid
Also Known As: Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenoxy)-, 5-(p-(Bis(2-chloroethyl)amino)phenoxy)valeric acid, Pentanoic acid, 5-(4-(bis(2-chloroethyl)amino)phenoxy)-, 5-[4-[bis(2-chloroethyl)amino]phenoxy]pentanoic acid, 4-13-00-01049 (Beilstein Handbook Reference)
| Molecular Formula | C15H21Cl2NO3 |
|---|---|
| Molecular Weight | 333.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 333.08984 |
| Heavy Atoms | 21 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 92700-02-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N(CCCl)CCCl)OCCCCC(=O)O |
| InChIKey | BVLNFTAVPDUETK-UHFFFAOYSA-N |
Product Overview
Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenoxy)- (CAS 92700-02-2), with molecular formula C15H21Cl2NO3 and molecular weight 333.09 g/mol. IUPAC: 5-[4-[bis(2-chloroethyl)amino]phenoxy]pentanoic acid.
Chemical Property Profile of Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenoxy)-
Property Insights of Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenoxy)-
The XLogP value of 3.4 indicates that Valeric acid, 5-(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, Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valeric acid, 5-(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 Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenoxy)-?
The CAS number of Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenoxy)- is 92700-02-2.
What is the molecular formula of Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenoxy)-?
The molecular formula of Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenoxy)- is C15H21Cl2NO3.
What is the molecular weight of Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenoxy)-?
The molecular weight of Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenoxy)- is 333.09 g/mol.
Where can I buy Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenoxy)-?
You can request a quote for Valeric acid, 5-(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 Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.