F0542-0018
TL;DR: F0542-0018 (CAS 681270-06-4) is a chemical compound with molecular formula C22H21N3O4S2 and molecular weight 455.10 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]thiophene-2-carboxamide
Also Known As: F0542-0018, N-(4-((8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)thiophene-2-carboxamide, N-[4-({6-oxo-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-11-yl}sulfonyl)phenyl]thiophene-2-carboxamide, N-[4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)sulfonyl]phenyl]thiophene-2-carboxamide
| Molecular Formula | C22H21N3O4S2 |
|---|---|
| Molecular Weight | 455.10 g/mol |
| LogP | 2.9701 |
| Topological Polar Surface Area | 88.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.09735 |
| Heavy Atoms | 31 |
| Complexity | 1281.0452 |
Chemical Identifiers
| CAS Number | 681270-06-4 |
|---|---|
| SMILES | C1C2CN(CC1C3=CC=CC(=O)N3C2)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CS5 |
Product Overview
F0542-0018 (CAS 681270-06-4), with molecular formula C22H21N3O4S2 and molecular weight 455.10 g/mol. IUPAC: N-[4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)sulfonyl]phenyl]thiophene-2-carboxamide.
Chemical Property Profile of F0542-0018
Property Insights of F0542-0018
The XLogP value of 2.9701 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0542-0018. The TPSA of 88.48 Ų falls within the moderate polarity range, balancing permeability and solubility for F0542-0018. Following Lipinski's Rule of Five, F0542-0018 has 1 hydrogen bond donor(s) and 5 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 F0542-0018?
The CAS number of F0542-0018 is 681270-06-4.
What is the molecular formula of F0542-0018?
The molecular formula of F0542-0018 is C22H21N3O4S2.
What is the molecular weight of F0542-0018?
The molecular weight of F0542-0018 is 455.10 g/mol.
Where can I buy F0542-0018?
You can request a quote for F0542-0018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0542-0018?
Yes, KEHONG BIO provides custom synthesis services for F0542-0018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.