Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-isopropyl-
TL;DR: Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-isopropyl- (CAS 19143-30-7) is a chemical compound with molecular formula C14H19Cl2NO2 and molecular weight 303.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-chloroethyl)amino]-4-propan-2-ylbenzoic acid
Also Known As: 3-(Bis(2-chloroethyl)amino)-4-isopropylbenzoic acid, BENZOIC ACID, 3-(BIS(2-CHLOROETHYL)AMINO)-4-ISOPROPYL-, 3-[bis(2-chloroethyl)amino]-4-propan-2-ylbenzoic acid, 3-[bis(2-chloroethyl)amino]-4-(propan-2-yl)benzoic acid, 3-[Bis(2-chloroethyl)amino]-4-isopropylbenzoic acid
| Molecular Formula | C14H19Cl2NO2 |
|---|---|
| Molecular Weight | 303.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 303.07928 |
| Heavy Atoms | 19 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 19143-30-7 |
|---|---|
| SMILES | CC(C)C1=C(C=C(C=C1)C(=O)O)N(CCCl)CCCl |
| InChIKey | XEPBEGNCIIRJHW-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-isopropyl- (CAS 19143-30-7), with molecular formula C14H19Cl2NO2 and molecular weight 303.08 g/mol. IUPAC: 3-[bis(2-chloroethyl)amino]-4-propan-2-ylbenzoic acid.
Chemical Property Profile of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-isopropyl-
Property Insights of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-isopropyl-
The XLogP value of 3.9 indicates that Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-isopropyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-isopropyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-isopropyl- 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 Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-isopropyl-?
The CAS number of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-isopropyl- is 19143-30-7.
What is the molecular formula of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-isopropyl-?
The molecular formula of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-isopropyl- is C14H19Cl2NO2.
What is the molecular weight of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-isopropyl-?
The molecular weight of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-isopropyl- is 303.08 g/mol.
Where can I buy Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-isopropyl-?
You can request a quote for Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-isopropyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-isopropyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-isopropyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.