![7-allyl-2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole structure](/static/products/5815/5815-03-2.webp)
7-allyl-2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole
TL;DR: 7-allyl-2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole (CAS 5815-03-2) is a chemical compound with molecular formula C25H20N2O5S and molecular weight 460.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(4-methylphenyl)sulfonyl-15-nitro-4-prop-2-enyl-2-oxa-12-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,10,13(17),14-heptaene
Also Known As: 7-allyl-2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole, A3300/0140250, 12-(4-Methylphenyl)sulfonyl-15-nitro-4-prop-2-enyl-2-oxa-12-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,10,13(17),14-heptaene, 2-(4-Methylbenzene-1-sulfonyl)-4-nitro-7-(prop-2-en-1-yl)-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole, 2-[(4-methylphenyl)sulfonyl]-4-nitro-7-(prop-2-en-1-yl)-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole
| Molecular Formula | C25H20N2O5S |
|---|---|
| Molecular Weight | 460.11 g/mol |
| LogP | 5.51992 |
| Topological Polar Surface Area | 91.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.10928 |
| Heavy Atoms | 33 |
| Complexity | 1550.2129 |
Chemical Identifiers
| CAS Number | 5815-03-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=C3CC4=C(C(=CC=C4)CC=C)OC5=CC(=CC2=C35)[N+](=O)[O-] |
Product Overview
7-allyl-2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole (CAS 5815-03-2), with molecular formula C25H20N2O5S and molecular weight 460.11 g/mol. IUPAC: 12-(4-methylphenyl)sulfonyl-15-nitro-4-prop-2-enyl-2-oxa-12-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,10,13(17),14-heptaene.
Chemical Property Profile of 7-allyl-2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole
Property Insights of 7-allyl-2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole
The XLogP value of 5.51992 indicates that 7-allyl-2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-allyl-2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole. Following Lipinski's Rule of Five, 7-allyl-2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole 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 7-allyl-2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole?
The CAS number of 7-allyl-2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole is 5815-03-2.
What is the molecular formula of 7-allyl-2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole?
The molecular formula of 7-allyl-2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole is C25H20N2O5S.
What is the molecular weight of 7-allyl-2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole?
The molecular weight of 7-allyl-2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole is 460.11 g/mol.
Where can I buy 7-allyl-2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole?
You can request a quote for 7-allyl-2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-allyl-2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole?
Yes, KEHONG BIO provides custom synthesis services for 7-allyl-2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.