![3-benzyl-8-(2-chloroquinolin-3-yl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione structure](/static/products/102/1024172-70-0.png)
3-benzyl-8-(2-chloroquinolin-3-yl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
TL;DR: 3-benzyl-8-(2-chloroquinolin-3-yl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione (CAS 1024172-70-0) is a chemical compound with molecular formula C27H20ClN3O3 and molecular weight 469.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-3-(2-chloroquinolin-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-benzyl-8-(2-chloroquinolin-3-yl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione, 5-benzyl-3-(2-chloroquinolin-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-benzyl-3-(2-chloroquinolin-3-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-benzyl-3-(2-chloroquinolin-3-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C27H20ClN3O3 |
|---|---|
| Molecular Weight | 469.12 g/mol |
| LogP | 4.9349 |
| Topological Polar Surface Area | 62.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.11932 |
| Heavy Atoms | 34 |
| Complexity | 1396.4319 |
Chemical Identifiers
| CAS Number | 1024172-70-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC6=CC=CC=C6N=C5Cl |
Product Overview
3-benzyl-8-(2-chloroquinolin-3-yl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione (CAS 1024172-70-0), with molecular formula C27H20ClN3O3 and molecular weight 469.12 g/mol. IUPAC: 5-benzyl-3-(2-chloroquinolin-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 3-benzyl-8-(2-chloroquinolin-3-yl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
Property Insights of 3-benzyl-8-(2-chloroquinolin-3-yl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
The XLogP value of 4.9349 indicates that 3-benzyl-8-(2-chloroquinolin-3-yl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-8-(2-chloroquinolin-3-yl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione. Following Lipinski's Rule of Five, 3-benzyl-8-(2-chloroquinolin-3-yl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione 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 3-benzyl-8-(2-chloroquinolin-3-yl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
The CAS number of 3-benzyl-8-(2-chloroquinolin-3-yl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 1024172-70-0.
What is the molecular formula of 3-benzyl-8-(2-chloroquinolin-3-yl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
The molecular formula of 3-benzyl-8-(2-chloroquinolin-3-yl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is C27H20ClN3O3.
What is the molecular weight of 3-benzyl-8-(2-chloroquinolin-3-yl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
The molecular weight of 3-benzyl-8-(2-chloroquinolin-3-yl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 469.12 g/mol.
Where can I buy 3-benzyl-8-(2-chloroquinolin-3-yl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
You can request a quote for 3-benzyl-8-(2-chloroquinolin-3-yl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-8-(2-chloroquinolin-3-yl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-8-(2-chloroquinolin-3-yl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.