![4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylben structure](/static/products/2132/21322-85-0.webp)
4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylben
TL;DR: 4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylben (CAS 21322-85-0) is a chemical compound with molecular formula C15H13ClFN3O5S and molecular weight 401.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylbenzenesulfonyl fluoride
Also Known As: 4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylben, 4-({[(2-Chloro-4-nitrophenyl)methyl]carbamoyl}amino)-3-methylbenzene-1-sulfonyl fluoride, 4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylbenzenesulfonyl fluoride
| Molecular Formula | C15H13ClFN3O5S |
|---|---|
| Molecular Weight | 401.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.02484 |
| Heavy Atoms | 26 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 21322-85-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)F)NC(=O)NCC2=C(C=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | VZBLOVPVTCGYIS-UHFFFAOYSA-N |
Product Overview
4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylben (CAS 21322-85-0), with molecular formula C15H13ClFN3O5S and molecular weight 401.02 g/mol. IUPAC: 4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylbenzenesulfonyl fluoride.
Chemical Property Profile of 4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylben
Property Insights of 4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylben
The XLogP value of 3.0 indicates that 4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylben is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylben. Following Lipinski's Rule of Five, 4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylben has 2 hydrogen bond donor(s) and 6 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 4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylben?
The CAS number of 4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylben is 21322-85-0.
What is the molecular formula of 4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylben?
The molecular formula of 4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylben is C15H13ClFN3O5S.
What is the molecular weight of 4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylben?
The molecular weight of 4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylben is 401.02 g/mol.
Where can I buy 4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylben?
You can request a quote for 4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylben directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylben?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-chloro-4-nitrophenyl)methylcarbamoylamino]-3-methylben and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.