![8-[4-(tert-butyl)phenyl]-9-(5-methylisoxazol-3-yl)benzo[h]3-pyrrolino[3,4-b]ch romene-7,10-dione structure](/static/products/874/874396-15-3.png)
8-[4-(tert-butyl)phenyl]-9-(5-methylisoxazol-3-yl)benzo[h]3-pyrrolino[3,4-b]ch romene-7,10-dione
TL;DR: 8-[4-(tert-butyl)phenyl]-9-(5-methylisoxazol-3-yl)benzo[h]3-pyrrolino[3,4-b]ch romene-7,10-dione (CAS 874396-15-3) is a chemical compound with molecular formula C29H24N2O4 and molecular weight 464.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(4-tert-butylphenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
Also Known As: 8-[4-(tert-butyl)phenyl]-9-(5-methylisoxazol-3-yl)benzo[h]3-pyrrolino[3,4-b]ch romene-7,10-dione, 8-(4-(tert-butyl)phenyl)-9-(5-methylisoxazol-3-yl)-8,9-dihydrobenzo[7,8]chromeno[2,3-c]pyrrole-7,10-dione, 8-(4-tert-butylphenyl)-9-(5-methyl-1,2-oxazol-3-yl)-8,9-dihydrobenzo[7,8]chromeno[2,3-c]pyrrole-7,10-dione, 8-[4-(tert-butyl)phenyl]-9-(5-methyl-3-isoxazolyl)-8,9-dihydrobenzo[7,8]chromeno[2,3-c]pyrrole-7,10-dione
| Molecular Formula | C29H24N2O4 |
|---|---|
| Molecular Weight | 464.17 g/mol |
| LogP | 6.28992 |
| Topological Polar Surface Area | 76.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 464.1736 |
| Heavy Atoms | 35 |
| Complexity | 1686.756 |
Chemical Identifiers
| CAS Number | 874396-15-3 |
|---|---|
| SMILES | CC1=CC(=NO1)N2C(C3=C(C2=O)OC4=C(C3=O)C=CC5=CC=CC=C54)C6=CC=C(C=C6)C(C)(C)C |
Product Overview
8-[4-(tert-butyl)phenyl]-9-(5-methylisoxazol-3-yl)benzo[h]3-pyrrolino[3,4-b]ch romene-7,10-dione (CAS 874396-15-3), with molecular formula C29H24N2O4 and molecular weight 464.17 g/mol. IUPAC: 13-(4-tert-butylphenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione.
Chemical Property Profile of 8-[4-(tert-butyl)phenyl]-9-(5-methylisoxazol-3-yl)benzo[h]3-pyrrolino[3,4-b]ch romene-7,10-dione
Property Insights of 8-[4-(tert-butyl)phenyl]-9-(5-methylisoxazol-3-yl)benzo[h]3-pyrrolino[3,4-b]ch romene-7,10-dione
The XLogP value of 6.28992 indicates that 8-[4-(tert-butyl)phenyl]-9-(5-methylisoxazol-3-yl)benzo[h]3-pyrrolino[3,4-b]ch romene-7,10-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[4-(tert-butyl)phenyl]-9-(5-methylisoxazol-3-yl)benzo[h]3-pyrrolino[3,4-b]ch romene-7,10-dione. Following Lipinski's Rule of Five, 8-[4-(tert-butyl)phenyl]-9-(5-methylisoxazol-3-yl)benzo[h]3-pyrrolino[3,4-b]ch romene-7,10-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-[4-(tert-butyl)phenyl]-9-(5-methylisoxazol-3-yl)benzo[h]3-pyrrolino[3,4-b]ch romene-7,10-dione?
The CAS number of 8-[4-(tert-butyl)phenyl]-9-(5-methylisoxazol-3-yl)benzo[h]3-pyrrolino[3,4-b]ch romene-7,10-dione is 874396-15-3.
What is the molecular formula of 8-[4-(tert-butyl)phenyl]-9-(5-methylisoxazol-3-yl)benzo[h]3-pyrrolino[3,4-b]ch romene-7,10-dione?
The molecular formula of 8-[4-(tert-butyl)phenyl]-9-(5-methylisoxazol-3-yl)benzo[h]3-pyrrolino[3,4-b]ch romene-7,10-dione is C29H24N2O4.
What is the molecular weight of 8-[4-(tert-butyl)phenyl]-9-(5-methylisoxazol-3-yl)benzo[h]3-pyrrolino[3,4-b]ch romene-7,10-dione?
The molecular weight of 8-[4-(tert-butyl)phenyl]-9-(5-methylisoxazol-3-yl)benzo[h]3-pyrrolino[3,4-b]ch romene-7,10-dione is 464.17 g/mol.
Where can I buy 8-[4-(tert-butyl)phenyl]-9-(5-methylisoxazol-3-yl)benzo[h]3-pyrrolino[3,4-b]ch romene-7,10-dione?
You can request a quote for 8-[4-(tert-butyl)phenyl]-9-(5-methylisoxazol-3-yl)benzo[h]3-pyrrolino[3,4-b]ch romene-7,10-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-[4-(tert-butyl)phenyl]-9-(5-methylisoxazol-3-yl)benzo[h]3-pyrrolino[3,4-b]ch romene-7,10-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[4-(tert-butyl)phenyl]-9-(5-methylisoxazol-3-yl)benzo[h]3-pyrrolino[3,4-b]ch romene-7,10-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.