Opera_ID_4
TL;DR: Opera_ID_4 (CAS 681269-94-3) is a chemical compound with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)sulfonyl]phenyl]propanamide
Also Known As: AB00579128-08, F0542-0005, 2-methyl-N-[4-({6-oxo-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-11-yl}sulfonyl)phenyl]propanamide, N-(4-((8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)isobutyramide, 2-methyl-N-[4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)sulfonyl]phenyl]propanamide
| Molecular Formula | C21H25N3O4S |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 2.2508 |
| Topological Polar Surface Area | 88.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.1566 |
| Heavy Atoms | 29 |
| Complexity | 1089.6544 |
Chemical Identifiers
| CAS Number | 681269-94-3 |
|---|---|
| SMILES | CC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC3CC(C2)C4=CC=CC(=O)N4C3 |
Product Overview
Opera_ID_4 (CAS 681269-94-3), with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol. IUPAC: 2-methyl-N-[4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)sulfonyl]phenyl]propanamide.
Chemical Property Profile of Opera_ID_4
Property Insights of Opera_ID_4
The XLogP value of 2.2508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Opera_ID_4. The TPSA of 88.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Opera_ID_4. Following Lipinski's Rule of Five, Opera_ID_4 has 1 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 Opera_ID_4?
The CAS number of Opera_ID_4 is 681269-94-3.
What is the molecular formula of Opera_ID_4?
The molecular formula of Opera_ID_4 is C21H25N3O4S.
What is the molecular weight of Opera_ID_4?
The molecular weight of Opera_ID_4 is 415.16 g/mol.
Where can I buy Opera_ID_4?
You can request a quote for Opera_ID_4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_4?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.