![10-(2-chloro-6-fluorobenzyl)-7-methyl-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one structure](/static/products/877/877777-63-4.png)
10-(2-chloro-6-fluorobenzyl)-7-methyl-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one
TL;DR: 10-(2-chloro-6-fluorobenzyl)-7-methyl-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one (CAS 877777-63-4) is a chemical compound with molecular formula C23H21ClFNO3 and molecular weight 413.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[(2-chloro-6-fluorophenyl)methyl]-7-methyl-1,2,3,4,9,11-hexahydroisochromeno[4,3-g][1,3]benzoxazin-5-one
Also Known As: 10-(2-chloro-6-fluorobenzyl)-7-methyl-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one, 10-(2-chloro-6-fluorobenzyl)-7-methyl-1,2,3,4,10,11-hexahydrobenzo[3,4]chromeno[6,7-e][1,3]oxazin-5(9H)-one, 10-[(2-chloro-6-fluorophenyl)methyl]-7-methyl-1,2,3,4,9,11-hexahydroisochromeno[4,3-g][1,3]benzoxazin-5-one
| Molecular Formula | C23H21ClFNO3 |
|---|---|
| Molecular Weight | 413.12 g/mol |
| LogP | 5.12482 |
| Topological Polar Surface Area | 42.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 413.1194 |
| Heavy Atoms | 29 |
| Complexity | 1166.9321 |
Chemical Identifiers
| CAS Number | 877777-63-4 |
|---|---|
| SMILES | CC1=C2C(=CC3=C1OC(=O)C4=C3CCCC4)CN(CO2)CC5=C(C=CC=C5Cl)F |
Product Overview
10-(2-chloro-6-fluorobenzyl)-7-methyl-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one (CAS 877777-63-4), with molecular formula C23H21ClFNO3 and molecular weight 413.12 g/mol. IUPAC: 10-[(2-chloro-6-fluorophenyl)methyl]-7-methyl-1,2,3,4,9,11-hexahydroisochromeno[4,3-g][1,3]benzoxazin-5-one.
Chemical Property Profile of 10-(2-chloro-6-fluorobenzyl)-7-methyl-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one
Property Insights of 10-(2-chloro-6-fluorobenzyl)-7-methyl-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one
The XLogP value of 5.12482 indicates that 10-(2-chloro-6-fluorobenzyl)-7-methyl-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.68 Ų, 10-(2-chloro-6-fluorobenzyl)-7-methyl-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-(2-chloro-6-fluorobenzyl)-7-methyl-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-(2-chloro-6-fluorobenzyl)-7-methyl-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one?
The CAS number of 10-(2-chloro-6-fluorobenzyl)-7-methyl-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one is 877777-63-4.
What is the molecular formula of 10-(2-chloro-6-fluorobenzyl)-7-methyl-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one?
The molecular formula of 10-(2-chloro-6-fluorobenzyl)-7-methyl-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one is C23H21ClFNO3.
What is the molecular weight of 10-(2-chloro-6-fluorobenzyl)-7-methyl-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one?
The molecular weight of 10-(2-chloro-6-fluorobenzyl)-7-methyl-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one is 413.12 g/mol.
Where can I buy 10-(2-chloro-6-fluorobenzyl)-7-methyl-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one?
You can request a quote for 10-(2-chloro-6-fluorobenzyl)-7-methyl-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-(2-chloro-6-fluorobenzyl)-7-methyl-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 10-(2-chloro-6-fluorobenzyl)-7-methyl-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.