A2264/0095386
TL;DR: A2264/0095386 (CAS 299922-93-3) is a chemical compound with molecular formula C20H19F6N3O3S and molecular weight 495.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[1,1,1,3,3,3-hexafluoro-2-(pyridine-4-carbonylamino)propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: A2264/0095386, methyl 2-((1,1,1,3,3,3-hexafluoro-2-(isonicotinamido)propan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-[[1,1,1,3,3,3-hexafluoro-2-(pyridine-4-carbonylamino)propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-{[2,2,2-trifluoro-1-(isonicotinoylamino)-1-(trifluoromethyl)ethyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[1-(4-pyridylcarbonylamino)-2,2,2-trifluoro-1-trifluoromethylethylamino]-, methyl ester
| Molecular Formula | C20H19F6N3O3S |
|---|---|
| Molecular Weight | 495.11 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.10513 |
| Heavy Atoms | 33 |
| Complexity | 700.0 |
Chemical Identifiers
| CAS Number | 299922-93-3 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCC2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C3=CC=NC=C3 |
| InChIKey | HPVGIGUZMWKFIY-UHFFFAOYSA-N |
Product Overview
A2264/0095386 (CAS 299922-93-3), with molecular formula C20H19F6N3O3S and molecular weight 495.11 g/mol. IUPAC: methyl 2-[[1,1,1,3,3,3-hexafluoro-2-(pyridine-4-carbonylamino)propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of A2264/0095386
Property Insights of A2264/0095386
The XLogP value of 6.2 indicates that A2264/0095386 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A2264/0095386. Following Lipinski's Rule of Five, A2264/0095386 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2264/0095386?
The CAS number of A2264/0095386 is 299922-93-3.
What is the molecular formula of A2264/0095386?
The molecular formula of A2264/0095386 is C20H19F6N3O3S.
What is the molecular weight of A2264/0095386?
The molecular weight of A2264/0095386 is 495.11 g/mol.
Where can I buy A2264/0095386?
You can request a quote for A2264/0095386 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2264/0095386?
Yes, KEHONG BIO provides custom synthesis services for A2264/0095386 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.