p-Anisic acid, 3-(bis(2-chloroethyl)amino)-
TL;DR: p-Anisic acid, 3-(bis(2-chloroethyl)amino)- (CAS 24812-96-2) is a chemical compound with molecular formula C12H15Cl2NO3 and molecular weight 291.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-chloroethyl)amino]-4-methoxybenzoic acid
Also Known As: 3-[bis(2-chloroethyl)amino]-4-methoxybenzoic acid, p-ANISIC ACID, 3-(BIS(2-CHLOROETHYL)AMINO)-, 3-(Bis(2-chloroethyl)amino)-p-anisic acid, 3-[bis amino]-4-methoxy-benzoicacid, p-Anisic acid, 3-[bis(2-chloroethyl)amino]-
| Molecular Formula | C12H15Cl2NO3 |
|---|---|
| Molecular Weight | 291.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 291.0429 |
| Heavy Atoms | 18 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 24812-96-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)O)N(CCCl)CCCl |
| InChIKey | PKFSXBZXFYABSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Anisic acid, 3-(bis(2-chloroethyl)amino)- (CAS 24812-96-2), with molecular formula C12H15Cl2NO3 and molecular weight 291.04 g/mol. IUPAC: 3-[bis(2-chloroethyl)amino]-4-methoxybenzoic acid.
Chemical Property Profile of p-Anisic acid, 3-(bis(2-chloroethyl)amino)-
Property Insights of p-Anisic acid, 3-(bis(2-chloroethyl)amino)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Anisic acid, 3-(bis(2-chloroethyl)amino)-. With a topological polar surface area (TPSA) of 49.8 Ų, p-Anisic acid, 3-(bis(2-chloroethyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Anisic acid, 3-(bis(2-chloroethyl)amino)- 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 p-Anisic acid, 3-(bis(2-chloroethyl)amino)-?
The CAS number of p-Anisic acid, 3-(bis(2-chloroethyl)amino)- is 24812-96-2.
What is the molecular formula of p-Anisic acid, 3-(bis(2-chloroethyl)amino)-?
The molecular formula of p-Anisic acid, 3-(bis(2-chloroethyl)amino)- is C12H15Cl2NO3.
What is the molecular weight of p-Anisic acid, 3-(bis(2-chloroethyl)amino)-?
The molecular weight of p-Anisic acid, 3-(bis(2-chloroethyl)amino)- is 291.04 g/mol.
Where can I buy p-Anisic acid, 3-(bis(2-chloroethyl)amino)-?
You can request a quote for p-Anisic 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 p-Anisic acid, 3-(bis(2-chloroethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for p-Anisic acid, 3-(bis(2-chloroethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.