AS-871/43457094
TL;DR: AS-871/43457094 (CAS 853894-62-9) 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.
methyl 2-[3-[(2-chlorophenyl)methyl]-6,10-dimethyl-8-oxo-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-7-yl]acetate
Also Known As: AS-871/43457094, methyl [3-(2-chlorobenzyl)-6,10-dimethyl-8-oxo-3,4-dihydro-2H,8H-chromeno[6,7-e][1,3]oxazin-7-yl]acetate, methyl 2-(3-(2-chlorobenzyl)-6,10-dimethyl-8-oxo-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)acetate, methyl 2-[3-[(2-chlorophenyl)methyl]-6,10-dimethyl-8-oxo-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-7-yl]acetate, METHYL 2-{3-[(2-CHLOROPHENYL)METHYL]-6,10-DIMETHYL-8-OXO-2H,3H,4H,8H-CHROMENO[6,7-E][1,3]OXAZIN-7-YL}ACETATE
| Molecular Formula | C23H22ClNO5 |
|---|---|
| Molecular Weight | 427.12 g/mol |
| LogP | 4.13084 |
| Topological Polar Surface Area | 68.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.11865 |
| Heavy Atoms | 30 |
| Complexity | 1200.3982 |
Chemical Identifiers
| CAS Number | 853894-62-9 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=C3CN(COC3=C2C)CC4=CC=CC=C4Cl)CC(=O)OC |
Product Overview
AS-871/43457094 (CAS 853894-62-9), with molecular formula C23H22ClNO5 and molecular weight 427.12 g/mol. IUPAC: methyl 2-[3-[(2-chlorophenyl)methyl]-6,10-dimethyl-8-oxo-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-7-yl]acetate.
Chemical Property Profile of AS-871/43457094
Property Insights of AS-871/43457094
The XLogP value of 4.13084 indicates that AS-871/43457094 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/43457094. Following Lipinski's Rule of Five, AS-871/43457094 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 AS-871/43457094?
The CAS number of AS-871/43457094 is 853894-62-9.
What is the molecular formula of AS-871/43457094?
The molecular formula of AS-871/43457094 is C23H22ClNO5.
What is the molecular weight of AS-871/43457094?
The molecular weight of AS-871/43457094 is 427.12 g/mol.
Where can I buy AS-871/43457094?
You can request a quote for AS-871/43457094 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/43457094?
Yes, KEHONG BIO provides custom synthesis services for AS-871/43457094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.