6-chloro-N-(2-methoxybenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
TL;DR: 6-chloro-N-(2-methoxybenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CAS 866142-56-5) is a chemical compound with molecular formula C18H19ClN2O5S and molecular weight 410.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-N-[(2-methoxyphenyl)methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
Also Known As: 6-chloro-N-(2-methoxybenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide, 6-chloro-N-[(2-methoxyphenyl)methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide, 8X-0254, 6-chloro-4-methanesulfonyl-N-[(2-methoxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide, 6-CHLORO-4-METHANESULFONYL-N-[(2-METHOXYPHENYL)METHYL]-2,3-DIHYDRO-1,4-BENZOXAZINE-2-CARBOXAMIDE
| Molecular Formula | C18H19ClN2O5S |
|---|---|
| Molecular Weight | 410.07 g/mol |
| LogP | 2.192 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.0703 |
| Heavy Atoms | 27 |
| Complexity | 963.97437 |
Chemical Identifiers
| CAS Number | 866142-56-5 |
|---|---|
| SMILES | COC1=CC=CC=C1CNC(=O)C2CN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C |
Product Overview
6-chloro-N-(2-methoxybenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CAS 866142-56-5), with molecular formula C18H19ClN2O5S and molecular weight 410.07 g/mol. IUPAC: 6-chloro-N-[(2-methoxyphenyl)methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
Chemical Property Profile of 6-chloro-N-(2-methoxybenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Property Insights of 6-chloro-N-(2-methoxybenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
The XLogP value of 2.192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-N-(2-methoxybenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-N-(2-methoxybenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide. Following Lipinski's Rule of Five, 6-chloro-N-(2-methoxybenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has 1 hydrogen bond donor(s) and 5 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-(2-methoxybenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The CAS number of 6-chloro-N-(2-methoxybenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is 866142-56-5.
What is the molecular formula of 6-chloro-N-(2-methoxybenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The molecular formula of 6-chloro-N-(2-methoxybenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is C18H19ClN2O5S.
What is the molecular weight of 6-chloro-N-(2-methoxybenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The molecular weight of 6-chloro-N-(2-methoxybenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is 410.07 g/mol.
Where can I buy 6-chloro-N-(2-methoxybenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
You can request a quote for 6-chloro-N-(2-methoxybenzyl)-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-(2-methoxybenzyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-N-(2-methoxybenzyl)-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.