![3,5-Bis{[(2-chloroethyl)carbamoyl]amino}benzoic acid structure](/static/products/1629/16292-11-8.webp)
3,5-Bis{[(2-chloroethyl)carbamoyl]amino}benzoic acid
TL;DR: 3,5-Bis{[(2-chloroethyl)carbamoyl]amino}benzoic acid (CAS 16292-11-8) is a chemical compound with molecular formula C13H16Cl2N4O4 and molecular weight 362.05487 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-bis(2-chloroethylcarbamoylamino)benzoic acid
Also Known As: 3,5-bis{[(2-chloroethyl)carbamoyl]amino}benzoic acid, 3,5-bis(2-chloroethylcarbamoylamino)benzoic acid, Benzoicacid, 3,5-bis[[[(2-chloroethyl)amino]carbonyl]amino]-
Technical Specifications
| Molecular Formula | C13H16Cl2N4O4 |
| Molecular Weight | 362.05487 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 362.05487 Da |
| Heavy Atoms | 23 |
| Complexity | 395.0 |
| SMILES | C1=C(C=C(C=C1NC(=O)NCCCl)NC(=O)NCCCl)C(=O)O |
| InChIKey | FCDHURWVHIWHQP-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Bis{[(2-chloroethyl)carbamoyl]amino}benzoic acid
Property Insights of 3,5-Bis{[(2-chloroethyl)carbamoyl]amino}benzoic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Bis{[(2-chloroethyl)carbamoyl]amino}benzoic acid. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Bis{[(2-chloroethyl)carbamoyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3,5-Bis{[(2-chloroethyl)carbamoyl]amino}benzoic acid has 5 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,5-Bis{[(2-chloroethyl)carbamoyl]amino}benzoic acid?
The CAS number of 3,5-Bis{[(2-chloroethyl)carbamoyl]amino}benzoic acid is 16292-11-8.
What is the molecular formula of 3,5-Bis{[(2-chloroethyl)carbamoyl]amino}benzoic acid?
The molecular formula of 3,5-Bis{[(2-chloroethyl)carbamoyl]amino}benzoic acid is C13H16Cl2N4O4.
What is the molecular weight of 3,5-Bis{[(2-chloroethyl)carbamoyl]amino}benzoic acid?
The molecular weight of 3,5-Bis{[(2-chloroethyl)carbamoyl]amino}benzoic acid is 362.05487 g/mol.
Where can I buy 3,5-Bis{[(2-chloroethyl)carbamoyl]amino}benzoic acid?
You can request a quote for 3,5-Bis{[(2-chloroethyl)carbamoyl]amino}benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Bis{[(2-chloroethyl)carbamoyl]amino}benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3,5-Bis{[(2-chloroethyl)carbamoyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.