![3-benzyl-8-(4-butoxy-3-methoxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione structure](/static/products/102/1024285-37-7.png)
3-benzyl-8-(4-butoxy-3-methoxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
TL;DR: 3-benzyl-8-(4-butoxy-3-methoxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione (CAS 1024285-37-7) is a chemical compound with molecular formula C29H30N2O5 and molecular weight 486.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-3-(4-butoxy-3-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-benzyl-8-(4-butoxy-3-methoxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione, 5-benzyl-3-(4-butoxy-3-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-benzyl-3-(4-butoxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-benzyl-3-(4-butoxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C29H30N2O5 |
|---|---|
| Molecular Weight | 486.22 g/mol |
| LogP | 4.9208 |
| Topological Polar Surface Area | 68.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 486.21548 |
| Heavy Atoms | 36 |
| Complexity | 1216.8489 |
Chemical Identifiers
| CAS Number | 1024285-37-7 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)ON2C5=CC=CC=C5)OC |
Product Overview
3-benzyl-8-(4-butoxy-3-methoxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione (CAS 1024285-37-7), with molecular formula C29H30N2O5 and molecular weight 486.22 g/mol. IUPAC: 5-benzyl-3-(4-butoxy-3-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 3-benzyl-8-(4-butoxy-3-methoxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
Property Insights of 3-benzyl-8-(4-butoxy-3-methoxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
The XLogP value of 4.9208 indicates that 3-benzyl-8-(4-butoxy-3-methoxy-phenyl)-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 68.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-8-(4-butoxy-3-methoxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione. Following Lipinski's Rule of Five, 3-benzyl-8-(4-butoxy-3-methoxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione 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 3-benzyl-8-(4-butoxy-3-methoxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
The CAS number of 3-benzyl-8-(4-butoxy-3-methoxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 1024285-37-7.
What is the molecular formula of 3-benzyl-8-(4-butoxy-3-methoxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
The molecular formula of 3-benzyl-8-(4-butoxy-3-methoxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is C29H30N2O5.
What is the molecular weight of 3-benzyl-8-(4-butoxy-3-methoxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
The molecular weight of 3-benzyl-8-(4-butoxy-3-methoxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 486.22 g/mol.
Where can I buy 3-benzyl-8-(4-butoxy-3-methoxy-phenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
You can request a quote for 3-benzyl-8-(4-butoxy-3-methoxy-phenyl)-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-(4-butoxy-3-methoxy-phenyl)-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-(4-butoxy-3-methoxy-phenyl)-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.