6-chloro-N-(4-methylbenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
TL;DR: 6-chloro-N-(4-methylbenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CAS 866142-52-1) is a chemical compound with molecular formula C18H19ClN2O4S and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
Also Known As: 6-chloro-N-(4-methylbenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide, 6-chloro-4-methanesulfonyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide, 6-chloro-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide, 6-chloro-4-methylsulfonyl-N-(p-tolylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
| Molecular Formula | C18H19ClN2O4S |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 2.49182 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.0754 |
| Heavy Atoms | 26 |
| Complexity | 928.70734 |
Chemical Identifiers
| CAS Number | 866142-52-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)C2CN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C |
Product Overview
6-chloro-N-(4-methylbenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CAS 866142-52-1), with molecular formula C18H19ClN2O4S and molecular weight 394.08 g/mol. IUPAC: 6-chloro-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
Chemical Property Profile of 6-chloro-N-(4-methylbenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Property Insights of 6-chloro-N-(4-methylbenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
The XLogP value of 2.49182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-N-(4-methylbenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-N-(4-methylbenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide. Following Lipinski's Rule of Five, 6-chloro-N-(4-methylbenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide 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 6-chloro-N-(4-methylbenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The CAS number of 6-chloro-N-(4-methylbenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is 866142-52-1.
What is the molecular formula of 6-chloro-N-(4-methylbenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The molecular formula of 6-chloro-N-(4-methylbenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is C18H19ClN2O4S.
What is the molecular weight of 6-chloro-N-(4-methylbenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The molecular weight of 6-chloro-N-(4-methylbenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is 394.08 g/mol.
Where can I buy 6-chloro-N-(4-methylbenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
You can request a quote for 6-chloro-N-(4-methylbenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-N-(4-methylbenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-N-(4-methylbenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.