3-(Bis(2-chloroethyl)amino)-4-methylbenzamide
TL;DR: 3-(Bis(2-chloroethyl)amino)-4-methylbenzamide (CAS 19768-73-1) is a chemical compound with molecular formula C12H16Cl2N2O and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-chloroethyl)amino]-4-methylbenzamide
Also Known As: 3-[bis(2-chloroethyl)amino]-4-methylbenzamide, 3-(Bis(2-chloroethyl)amino)-p-toluamide, p-Toluamide, 3-(bis(2-chloroethyl)amino)-, 3-(bis(2-chloroethyl)amino)-4-methylbenzamide, p-Toluamide, 3-[bis(2-chloroethyl)amino]-
| Molecular Formula | C12H16Cl2N2O |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.06396 |
| Heavy Atoms | 17 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 19768-73-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N)N(CCCl)CCCl |
| InChIKey | JEPNDMLVRFWZTG-UHFFFAOYSA-N |
Product Overview
3-(Bis(2-chloroethyl)amino)-4-methylbenzamide (CAS 19768-73-1), with molecular formula C12H16Cl2N2O and molecular weight 274.06 g/mol. IUPAC: 3-[bis(2-chloroethyl)amino]-4-methylbenzamide.
Chemical Property Profile of 3-(Bis(2-chloroethyl)amino)-4-methylbenzamide
Property Insights of 3-(Bis(2-chloroethyl)amino)-4-methylbenzamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Bis(2-chloroethyl)amino)-4-methylbenzamide. With a topological polar surface area (TPSA) of 46.3 Ų, 3-(Bis(2-chloroethyl)amino)-4-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Bis(2-chloroethyl)amino)-4-methylbenzamide has 1 hydrogen bond donor(s) and 2 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 3-(Bis(2-chloroethyl)amino)-4-methylbenzamide?
The CAS number of 3-(Bis(2-chloroethyl)amino)-4-methylbenzamide is 19768-73-1.
What is the molecular formula of 3-(Bis(2-chloroethyl)amino)-4-methylbenzamide?
The molecular formula of 3-(Bis(2-chloroethyl)amino)-4-methylbenzamide is C12H16Cl2N2O.
What is the molecular weight of 3-(Bis(2-chloroethyl)amino)-4-methylbenzamide?
The molecular weight of 3-(Bis(2-chloroethyl)amino)-4-methylbenzamide is 274.06 g/mol.
Where can I buy 3-(Bis(2-chloroethyl)amino)-4-methylbenzamide?
You can request a quote for 3-(Bis(2-chloroethyl)amino)-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Bis(2-chloroethyl)amino)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Bis(2-chloroethyl)amino)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.