F0542-0004
TL;DR: F0542-0004 (CAS 681269-93-2) is a chemical compound with molecular formula C22H27N3O4S and molecular weight 429.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)sulfonyl]phenyl]pentanamide
Also Known As: F0542-0004, N-(4-((8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)pentanamide, N-[4-({6-oxo-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-11-yl}sulfonyl)phenyl]pentanamide, N-[4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)sulfonyl]phenyl]pentanamide, N-(4-((8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)sulfonyl)phenyl)pentanamide
| Molecular Formula | C22H27N3O4S |
|---|---|
| Molecular Weight | 429.17 g/mol |
| LogP | 2.785 |
| Topological Polar Surface Area | 88.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.17224 |
| Heavy Atoms | 30 |
| Complexity | 1092.1108 |
Chemical Identifiers
| CAS Number | 681269-93-2 |
|---|---|
| SMILES | CCCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC3CC(C2)C4=CC=CC(=O)N4C3 |
Product Overview
F0542-0004 (CAS 681269-93-2), with molecular formula C22H27N3O4S and molecular weight 429.17 g/mol. IUPAC: N-[4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)sulfonyl]phenyl]pentanamide.
Chemical Property Profile of F0542-0004
Property Insights of F0542-0004
The XLogP value of 2.785 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0542-0004. The TPSA of 88.48 Ų falls within the moderate polarity range, balancing permeability and solubility for F0542-0004. Following Lipinski's Rule of Five, F0542-0004 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 F0542-0004?
The CAS number of F0542-0004 is 681269-93-2.
What is the molecular formula of F0542-0004?
The molecular formula of F0542-0004 is C22H27N3O4S.
What is the molecular weight of F0542-0004?
The molecular weight of F0542-0004 is 429.17 g/mol.
Where can I buy F0542-0004?
You can request a quote for F0542-0004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0542-0004?
Yes, KEHONG BIO provides custom synthesis services for F0542-0004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.