o-Toluic acid, 3-bis(2-chloroethyl)amino-
TL;DR: o-Toluic acid, 3-bis(2-chloroethyl)amino- (CAS 5977-02-6) is a chemical compound with molecular formula C12H15Cl2NO2 and molecular weight 275.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-chloroethyl)amino]-2-methylbenzoic acid
Also Known As: 3-[Bis amino]-o-toluicacid, 3-Bis(2-chloroethyl)amino-o-toluic acid, o-Toluic acid, 3-bis(2-chloroethyl)amino-, 3-Bis(2-chloroethyl)amino-2-methylbenzoic acid, 3-[bis(2-chloroethyl)amino]-2-methylbenzoic acid
| Molecular Formula | C12H15Cl2NO2 |
|---|---|
| Molecular Weight | 275.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.04797 |
| Heavy Atoms | 17 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 5977-02-6 |
|---|---|
| SMILES | CC1=C(C=CC=C1N(CCCl)CCCl)C(=O)O |
| InChIKey | ZGNNECBRBLPXDL-UHFFFAOYSA-N |
Product Overview
o-Toluic acid, 3-bis(2-chloroethyl)amino- (CAS 5977-02-6), with molecular formula C12H15Cl2NO2 and molecular weight 275.05 g/mol. IUPAC: 3-[bis(2-chloroethyl)amino]-2-methylbenzoic acid.
Chemical Property Profile of o-Toluic acid, 3-bis(2-chloroethyl)amino-
Property Insights of o-Toluic acid, 3-bis(2-chloroethyl)amino-
The XLogP value of 3.1 indicates that o-Toluic acid, 3-bis(2-chloroethyl)amino- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, o-Toluic acid, 3-bis(2-chloroethyl)amino- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Toluic acid, 3-bis(2-chloroethyl)amino- has 1 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 o-Toluic acid, 3-bis(2-chloroethyl)amino-?
The CAS number of o-Toluic acid, 3-bis(2-chloroethyl)amino- is 5977-02-6.
What is the molecular formula of o-Toluic acid, 3-bis(2-chloroethyl)amino-?
The molecular formula of o-Toluic acid, 3-bis(2-chloroethyl)amino- is C12H15Cl2NO2.
What is the molecular weight of o-Toluic acid, 3-bis(2-chloroethyl)amino-?
The molecular weight of o-Toluic acid, 3-bis(2-chloroethyl)amino- is 275.05 g/mol.
Where can I buy o-Toluic acid, 3-bis(2-chloroethyl)amino-?
You can request a quote for o-Toluic acid, 3-bis(2-chloroethyl)amino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Toluic acid, 3-bis(2-chloroethyl)amino-?
Yes, KEHONG BIO provides custom synthesis services for o-Toluic acid, 3-bis(2-chloroethyl)amino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.