![3-benzyl-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one structure](/static/products/853/853892-85-0.png)
3-benzyl-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
TL;DR: 3-benzyl-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one (CAS 853892-85-0) is a chemical compound with molecular formula C21H18ClNO3 and molecular weight 367.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-8-chloro-6,17-dioxa-4-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-16-one
Also Known As: 3-benzyl-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one, 7-chloro-10-benzyl-3,4,5-trihydro-9H,11H-cyclopenta[1,2-c]1,3-oxazaperhydroino [6,5-h]chromen-2-one
| Molecular Formula | C21H18ClNO3 |
|---|---|
| Molecular Weight | 367.10 g/mol |
| LogP | 4.2872 |
| Topological Polar Surface Area | 42.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.09753 |
| Heavy Atoms | 26 |
| Complexity | 1058.5247 |
Chemical Identifiers
| CAS Number | 853892-85-0 |
|---|---|
| SMILES | C1CC2=C(C1)C(=O)OC3=C4CN(COC4=C(C=C23)Cl)CC5=CC=CC=C5 |
Product Overview
3-benzyl-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one (CAS 853892-85-0), with molecular formula C21H18ClNO3 and molecular weight 367.10 g/mol. IUPAC: 4-benzyl-8-chloro-6,17-dioxa-4-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-16-one.
Chemical Property Profile of 3-benzyl-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
Property Insights of 3-benzyl-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
The XLogP value of 4.2872 indicates that 3-benzyl-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-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-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one has 0 hydrogen bond donor(s) and 4 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 3-benzyl-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one?
The CAS number of 3-benzyl-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one is 853892-85-0.
What is the molecular formula of 3-benzyl-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one?
The molecular formula of 3-benzyl-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one is C21H18ClNO3.
What is the molecular weight of 3-benzyl-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one?
The molecular weight of 3-benzyl-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one is 367.10 g/mol.
Where can I buy 3-benzyl-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one?
You can request a quote for 3-benzyl-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-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-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.