![9-(3-chlorobenzyl)-3,4-dimethyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one structure](/static/products/859/859111-31-2.png)
9-(3-chlorobenzyl)-3,4-dimethyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one
TL;DR: 9-(3-chlorobenzyl)-3,4-dimethyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one (CAS 859111-31-2) is a chemical compound with molecular formula C20H18ClNO3 and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(3-chlorophenyl)methyl]-3,4-dimethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
Also Known As: 9-(3-chlorobenzyl)-3,4-dimethyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one, 9-(3-chlorobenzyl)-3,4-dimethyl-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one, 9-[(3-chlorophenyl)methyl]-3,4-dimethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
| Molecular Formula | C20H18ClNO3 |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 4.41534 |
| Topological Polar Surface Area | 42.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.09753 |
| Heavy Atoms | 25 |
| Complexity | 1025.3604 |
Chemical Identifiers
| CAS Number | 859111-31-2 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC3=C2CN(CO3)CC4=CC(=CC=C4)Cl)C |
Product Overview
9-(3-chlorobenzyl)-3,4-dimethyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one (CAS 859111-31-2), with molecular formula C20H18ClNO3 and molecular weight 355.10 g/mol. IUPAC: 9-[(3-chlorophenyl)methyl]-3,4-dimethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one.
Chemical Property Profile of 9-(3-chlorobenzyl)-3,4-dimethyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one
Property Insights of 9-(3-chlorobenzyl)-3,4-dimethyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one
The XLogP value of 4.41534 indicates that 9-(3-chlorobenzyl)-3,4-dimethyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-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, 9-(3-chlorobenzyl)-3,4-dimethyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(3-chlorobenzyl)-3,4-dimethyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one has 0 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 9-(3-chlorobenzyl)-3,4-dimethyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one?
The CAS number of 9-(3-chlorobenzyl)-3,4-dimethyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one is 859111-31-2.
What is the molecular formula of 9-(3-chlorobenzyl)-3,4-dimethyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one?
The molecular formula of 9-(3-chlorobenzyl)-3,4-dimethyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one is C20H18ClNO3.
What is the molecular weight of 9-(3-chlorobenzyl)-3,4-dimethyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one?
The molecular weight of 9-(3-chlorobenzyl)-3,4-dimethyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one is 355.10 g/mol.
Where can I buy 9-(3-chlorobenzyl)-3,4-dimethyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one?
You can request a quote for 9-(3-chlorobenzyl)-3,4-dimethyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(3-chlorobenzyl)-3,4-dimethyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for 9-(3-chlorobenzyl)-3,4-dimethyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.