A2264/0095391
TL;DR: A2264/0095391 (CAS 299922-98-8) is a chemical compound with molecular formula C17H20F6N2O4S and molecular weight 462.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(ethoxycarbonylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: A2264/0095391, methyl 2-((2-((ethoxycarbonyl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, METHYL 2-({2-[(ETHOXYCARBONYL)AMINO]-1,1,1,3,3,3-HEXAFLUOROPROPAN-2-YL}AMINO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE, methyl 2-({2-[(ethoxycarbonyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-[[2-(ethoxycarbonylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C17H20F6N2O4S |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | 4.7825 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.1048 |
| Heavy Atoms | 30 |
| Complexity | 776.43695 |
Chemical Identifiers
| CAS Number | 299922-98-8 |
|---|---|
| SMILES | CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=C(C2=C(S1)CCCCC2)C(=O)OC |
Product Overview
A2264/0095391 (CAS 299922-98-8), with molecular formula C17H20F6N2O4S and molecular weight 462.10 g/mol. IUPAC: methyl 2-[[2-(ethoxycarbonylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of A2264/0095391
Property Insights of A2264/0095391
The XLogP value of 4.7825 indicates that A2264/0095391 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for A2264/0095391. Following Lipinski's Rule of Five, A2264/0095391 has 2 hydrogen bond donor(s) and 6 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 A2264/0095391?
The CAS number of A2264/0095391 is 299922-98-8.
What is the molecular formula of A2264/0095391?
The molecular formula of A2264/0095391 is C17H20F6N2O4S.
What is the molecular weight of A2264/0095391?
The molecular weight of A2264/0095391 is 462.10 g/mol.
Where can I buy A2264/0095391?
You can request a quote for A2264/0095391 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2264/0095391?
Yes, KEHONG BIO provides custom synthesis services for A2264/0095391 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.