Benzoic acid, 2-((4-(bis(2-chloroethyl)amino)phenyl)azo)-
TL;DR: Benzoic acid, 2-((4-(bis(2-chloroethyl)amino)phenyl)azo)- (CAS 40136-87-6) is a chemical compound with molecular formula C17H17Cl2N3O2 and molecular weight 365.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]benzoic acid
Also Known As: 2-(4-Bis(2-chloroethyl)aminophenyl)azobenzoic acid, 4-16-00-00505 (Beilstein Handbook Reference), BENZOIC ACID, 2-((4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)AZO)-, Benzoic acid, O-(p-(bis(2-chloroethyl)amino)phenylazo)-, 2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]benzoic acid
| Molecular Formula | C17H17Cl2N3O2 |
|---|---|
| Molecular Weight | 365.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 365.0698 |
| Heavy Atoms | 24 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 40136-87-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)N=NC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | UZVFCQFALGLBHY-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-((4-(bis(2-chloroethyl)amino)phenyl)azo)- (CAS 40136-87-6), with molecular formula C17H17Cl2N3O2 and molecular weight 365.07 g/mol. IUPAC: 2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]benzoic acid.
Chemical Property Profile of Benzoic acid, 2-((4-(bis(2-chloroethyl)amino)phenyl)azo)-
Property Insights of Benzoic acid, 2-((4-(bis(2-chloroethyl)amino)phenyl)azo)-
The XLogP value of 4.5 indicates that Benzoic acid, 2-((4-(bis(2-chloroethyl)amino)phenyl)azo)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((4-(bis(2-chloroethyl)amino)phenyl)azo)-. Following Lipinski's Rule of Five, Benzoic acid, 2-((4-(bis(2-chloroethyl)amino)phenyl)azo)- has 1 hydrogen bond donor(s) and 5 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 Benzoic acid, 2-((4-(bis(2-chloroethyl)amino)phenyl)azo)-?
The CAS number of Benzoic acid, 2-((4-(bis(2-chloroethyl)amino)phenyl)azo)- is 40136-87-6.
What is the molecular formula of Benzoic acid, 2-((4-(bis(2-chloroethyl)amino)phenyl)azo)-?
The molecular formula of Benzoic acid, 2-((4-(bis(2-chloroethyl)amino)phenyl)azo)- is C17H17Cl2N3O2.
What is the molecular weight of Benzoic acid, 2-((4-(bis(2-chloroethyl)amino)phenyl)azo)-?
The molecular weight of Benzoic acid, 2-((4-(bis(2-chloroethyl)amino)phenyl)azo)- is 365.07 g/mol.
Where can I buy Benzoic acid, 2-((4-(bis(2-chloroethyl)amino)phenyl)azo)-?
You can request a quote for Benzoic acid, 2-((4-(bis(2-chloroethyl)amino)phenyl)azo)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((4-(bis(2-chloroethyl)amino)phenyl)azo)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((4-(bis(2-chloroethyl)amino)phenyl)azo)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.