![12-chloro-3-(2-isopropyl-6-methylphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one structure](/static/products/850/850720-52-4.png)
12-chloro-3-(2-isopropyl-6-methylphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one
TL;DR: 12-chloro-3-(2-isopropyl-6-methylphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one (CAS 850720-52-4) is a chemical compound with molecular formula C25H26ClNO3 and molecular weight 423.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-chloro-3-(2-methyl-6-propan-2-ylphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one
Also Known As: 12-chloro-3-(2-isopropyl-6-methylphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one, 12-chloro-3-(2-methyl-6-propan-2-ylphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one, 12-chloro-3-[2-methyl-6-(propan-2-yl)phenyl]-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one
| Molecular Formula | C25H26ClNO3 |
|---|---|
| Molecular Weight | 423.16 g/mol |
| LogP | 6.11352 |
| Topological Polar Surface Area | 42.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 423.16013 |
| Heavy Atoms | 30 |
| Complexity | 1211.4648 |
Chemical Identifiers
| CAS Number | 850720-52-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(C)C)N2CC3=C4C(=CC(=C3OC2)Cl)C5=C(CCCC5)C(=O)O4 |
Product Overview
12-chloro-3-(2-isopropyl-6-methylphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one (CAS 850720-52-4), with molecular formula C25H26ClNO3 and molecular weight 423.16 g/mol. IUPAC: 12-chloro-3-(2-methyl-6-propan-2-ylphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one.
Chemical Property Profile of 12-chloro-3-(2-isopropyl-6-methylphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one
Property Insights of 12-chloro-3-(2-isopropyl-6-methylphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one
The XLogP value of 6.11352 indicates that 12-chloro-3-(2-isopropyl-6-methylphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-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, 12-chloro-3-(2-isopropyl-6-methylphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-chloro-3-(2-isopropyl-6-methylphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-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 12-chloro-3-(2-isopropyl-6-methylphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one?
The CAS number of 12-chloro-3-(2-isopropyl-6-methylphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one is 850720-52-4.
What is the molecular formula of 12-chloro-3-(2-isopropyl-6-methylphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one?
The molecular formula of 12-chloro-3-(2-isopropyl-6-methylphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one is C25H26ClNO3.
What is the molecular weight of 12-chloro-3-(2-isopropyl-6-methylphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one?
The molecular weight of 12-chloro-3-(2-isopropyl-6-methylphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one is 423.16 g/mol.
Where can I buy 12-chloro-3-(2-isopropyl-6-methylphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one?
You can request a quote for 12-chloro-3-(2-isopropyl-6-methylphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-chloro-3-(2-isopropyl-6-methylphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 12-chloro-3-(2-isopropyl-6-methylphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.