![12-chloro-3-(3,4-dimethoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one structure](/static/products/877/877781-71-0.png)
12-chloro-3-(3,4-dimethoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one
TL;DR: 12-chloro-3-(3,4-dimethoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one (CAS 877781-71-0) is a chemical compound with molecular formula C23H22ClNO5 and molecular weight 427.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-chloro-3-(3,4-dimethoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one
Also Known As: 12-chloro-3-(3,4-dimethoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one, 12-chloro-3-(3,4-dimethoxyphenyl)-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one, 12-chloro-3-(3,4-dimethoxyphenyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one
| Molecular Formula | C23H22ClNO5 |
|---|---|
| Molecular Weight | 427.12 g/mol |
| LogP | 4.6989 |
| Topological Polar Surface Area | 61.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.11865 |
| Heavy Atoms | 30 |
| Complexity | 1202.6433 |
Chemical Identifiers
| CAS Number | 877781-71-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N2CC3=C4C(=CC(=C3OC2)Cl)C5=C(CCCC5)C(=O)O4)OC |
Product Overview
12-chloro-3-(3,4-dimethoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one (CAS 877781-71-0), with molecular formula C23H22ClNO5 and molecular weight 427.12 g/mol. IUPAC: 12-chloro-3-(3,4-dimethoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one.
Chemical Property Profile of 12-chloro-3-(3,4-dimethoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one
Property Insights of 12-chloro-3-(3,4-dimethoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one
The XLogP value of 4.6989 indicates that 12-chloro-3-(3,4-dimethoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-chloro-3-(3,4-dimethoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one. Following Lipinski's Rule of Five, 12-chloro-3-(3,4-dimethoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one has 0 hydrogen bond donor(s) and 6 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 12-chloro-3-(3,4-dimethoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one?
The CAS number of 12-chloro-3-(3,4-dimethoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one is 877781-71-0.
What is the molecular formula of 12-chloro-3-(3,4-dimethoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one?
The molecular formula of 12-chloro-3-(3,4-dimethoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one is C23H22ClNO5.
What is the molecular weight of 12-chloro-3-(3,4-dimethoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one?
The molecular weight of 12-chloro-3-(3,4-dimethoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one is 427.12 g/mol.
Where can I buy 12-chloro-3-(3,4-dimethoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one?
You can request a quote for 12-chloro-3-(3,4-dimethoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-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-(3,4-dimethoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 12-chloro-3-(3,4-dimethoxyphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.