A3634/0154198
TL;DR: A3634/0154198 (CAS 697239-68-2) is a chemical compound with molecular formula C25H25FN4O5S and molecular weight 512.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: A3634/0154198, 7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid, 7-(4-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 7-{4-[(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLAMINO)CARBOTHIOYL]PIPERAZINO}-1-ETHYL-6-FLUORO-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXYLIC ACID
| Molecular Formula | C25H25FN4O5S |
|---|---|
| Molecular Weight | 512.15 g/mol |
| LogP | 3.1489 |
| Topological Polar Surface Area | 96.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 512.15295 |
| Heavy Atoms | 36 |
| Complexity | 1417.8054 |
Chemical Identifiers
| CAS Number | 697239-68-2 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC5=C(C=C4)OCCO5)F)C(=O)O |
Product Overview
A3634/0154198 (CAS 697239-68-2), with molecular formula C25H25FN4O5S and molecular weight 512.15 g/mol. IUPAC: 7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of A3634/0154198
Property Insights of A3634/0154198
The XLogP value of 3.1489 indicates that A3634/0154198 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.27 Ų falls within the moderate polarity range, balancing permeability and solubility for A3634/0154198. Following Lipinski's Rule of Five, A3634/0154198 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3634/0154198?
The CAS number of A3634/0154198 is 697239-68-2.
What is the molecular formula of A3634/0154198?
The molecular formula of A3634/0154198 is C25H25FN4O5S.
What is the molecular weight of A3634/0154198?
The molecular weight of A3634/0154198 is 512.15 g/mol.
Where can I buy A3634/0154198?
You can request a quote for A3634/0154198 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3634/0154198?
Yes, KEHONG BIO provides custom synthesis services for A3634/0154198 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.