A4000/0170500
TL;DR: A4000/0170500 (CAS 1005090-07-2) is a chemical compound with molecular formula C27H33FN4O4S and molecular weight 528.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-(2-bicyclo[2.2.1]heptanylcarbamothioyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
Also Known As: A4000/0170500, 7-[4-(3-bicyclo[2.2.1]heptanylcarbamothioyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid, 7-(4-((1R,4S)-bicyclo[2.2.1]heptan-2-ylcarbamothioyl)-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 7-[4-(Bicyclo[2.2.1]hept-2-ylthiocarbamoyl)-3-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4- oxo-1,4-dihydro-quinoline-3-carboxylic acid, 1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-[3-methyl-4-(2-norbornylthiocarbamoyl)piperazino]quinoline-3-carboxylic acid
| Molecular Formula | C27H33FN4O4S |
|---|---|
| Molecular Weight | 528.22 g/mol |
| LogP | 3.7559 |
| Topological Polar Surface Area | 87.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 528.22064 |
| Heavy Atoms | 37 |
| Complexity | 1342.1584 |
Chemical Identifiers
| CAS Number | 1005090-07-2 |
|---|---|
| SMILES | CC1CN(CCN1C(=S)NC2CC3CCC2C3)C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F |
Product Overview
A4000/0170500 (CAS 1005090-07-2), with molecular formula C27H33FN4O4S and molecular weight 528.22 g/mol. IUPAC: 7-[4-(2-bicyclo[2.2.1]heptanylcarbamothioyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of A4000/0170500
Property Insights of A4000/0170500
The XLogP value of 3.7559 indicates that A4000/0170500 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.04 Ų falls within the moderate polarity range, balancing permeability and solubility for A4000/0170500. Following Lipinski's Rule of Five, A4000/0170500 has 2 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 A4000/0170500?
The CAS number of A4000/0170500 is 1005090-07-2.
What is the molecular formula of A4000/0170500?
The molecular formula of A4000/0170500 is C27H33FN4O4S.
What is the molecular weight of A4000/0170500?
The molecular weight of A4000/0170500 is 528.22 g/mol.
Where can I buy A4000/0170500?
You can request a quote for A4000/0170500 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4000/0170500?
Yes, KEHONG BIO provides custom synthesis services for A4000/0170500 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.