![12-chloro-3-(pyridin-2-ylmethyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one structure](/static/products/879/879586-69-3.png)
12-chloro-3-(pyridin-2-ylmethyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one
TL;DR: 12-chloro-3-(pyridin-2-ylmethyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one (CAS 879586-69-3) is a chemical compound with molecular formula C21H19ClN2O3 and molecular weight 382.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-chloro-3-(pyridin-2-ylmethyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one
Also Known As: 12-chloro-3-(pyridin-2-ylmethyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one, 12-chloro-3-(pyridin-2-ylmethyl)-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one, 12-chloro-3-(pyridin-2-ylmethyl)-3,4,7,8,9,10-hexahydrobenzo[3,4]chromeno[8,7-e][1,3]oxazin-6(2H)-one
| Molecular Formula | C21H19ClN2O3 |
|---|---|
| Molecular Weight | 382.11 g/mol |
| LogP | 4.0723 |
| Topological Polar Surface Area | 55.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.10843 |
| Heavy Atoms | 27 |
| Complexity | 1078.4623 |
Chemical Identifiers
| CAS Number | 879586-69-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=CC(=C4C(=C3OC2=O)CN(CO4)CC5=CC=CC=N5)Cl |
Product Overview
12-chloro-3-(pyridin-2-ylmethyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one (CAS 879586-69-3), with molecular formula C21H19ClN2O3 and molecular weight 382.11 g/mol. IUPAC: 12-chloro-3-(pyridin-2-ylmethyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one.
Chemical Property Profile of 12-chloro-3-(pyridin-2-ylmethyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one
Property Insights of 12-chloro-3-(pyridin-2-ylmethyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one
The XLogP value of 4.0723 indicates that 12-chloro-3-(pyridin-2-ylmethyl)-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. With a topological polar surface area (TPSA) of 55.57 Ų, 12-chloro-3-(pyridin-2-ylmethyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-chloro-3-(pyridin-2-ylmethyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one has 0 hydrogen bond donor(s) and 5 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-(pyridin-2-ylmethyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one?
The CAS number of 12-chloro-3-(pyridin-2-ylmethyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one is 879586-69-3.
What is the molecular formula of 12-chloro-3-(pyridin-2-ylmethyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one?
The molecular formula of 12-chloro-3-(pyridin-2-ylmethyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one is C21H19ClN2O3.
What is the molecular weight of 12-chloro-3-(pyridin-2-ylmethyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one?
The molecular weight of 12-chloro-3-(pyridin-2-ylmethyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one is 382.11 g/mol.
Where can I buy 12-chloro-3-(pyridin-2-ylmethyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one?
You can request a quote for 12-chloro-3-(pyridin-2-ylmethyl)-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-(pyridin-2-ylmethyl)-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-(pyridin-2-ylmethyl)-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.