![3-benzyl-9-(3-chlorobenzyl)-4-methyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one structure](/static/products/859/859115-75-6.png)
3-benzyl-9-(3-chlorobenzyl)-4-methyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one
TL;DR: 3-benzyl-9-(3-chlorobenzyl)-4-methyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one (CAS 859115-75-6) is a chemical compound with molecular formula C26H22ClNO3 and molecular weight 431.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-9-[(3-chlorophenyl)methyl]-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
Also Known As: 3-benzyl-9-(3-chlorobenzyl)-4-methyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one, 3-benzyl-9-(3-chlorobenzyl)-4-methyl-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one, 3-benzyl-9-[(3-chlorophenyl)methyl]-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
| Molecular Formula | C26H22ClNO3 |
|---|---|
| Molecular Weight | 431.13 g/mol |
| LogP | 5.69772 |
| Topological Polar Surface Area | 42.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.1288 |
| Heavy Atoms | 31 |
| Complexity | 1313.7855 |
Chemical Identifiers
| CAS Number | 859115-75-6 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC3=C2CN(CO3)CC4=CC(=CC=C4)Cl)CC5=CC=CC=C5 |
Product Overview
3-benzyl-9-(3-chlorobenzyl)-4-methyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one (CAS 859115-75-6), with molecular formula C26H22ClNO3 and molecular weight 431.13 g/mol. IUPAC: 3-benzyl-9-[(3-chlorophenyl)methyl]-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one.
Chemical Property Profile of 3-benzyl-9-(3-chlorobenzyl)-4-methyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one
Property Insights of 3-benzyl-9-(3-chlorobenzyl)-4-methyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one
The XLogP value of 5.69772 indicates that 3-benzyl-9-(3-chlorobenzyl)-4-methyl-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, 3-benzyl-9-(3-chlorobenzyl)-4-methyl-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, 3-benzyl-9-(3-chlorobenzyl)-4-methyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-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 3-benzyl-9-(3-chlorobenzyl)-4-methyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one?
The CAS number of 3-benzyl-9-(3-chlorobenzyl)-4-methyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one is 859115-75-6.
What is the molecular formula of 3-benzyl-9-(3-chlorobenzyl)-4-methyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one?
The molecular formula of 3-benzyl-9-(3-chlorobenzyl)-4-methyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one is C26H22ClNO3.
What is the molecular weight of 3-benzyl-9-(3-chlorobenzyl)-4-methyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one?
The molecular weight of 3-benzyl-9-(3-chlorobenzyl)-4-methyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one is 431.13 g/mol.
Where can I buy 3-benzyl-9-(3-chlorobenzyl)-4-methyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one?
You can request a quote for 3-benzyl-9-(3-chlorobenzyl)-4-methyl-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 3-benzyl-9-(3-chlorobenzyl)-4-methyl-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-9-(3-chlorobenzyl)-4-methyl-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.