A2805/0118598
TL;DR: A2805/0118598 (CAS 446051-76-9) is a chemical compound with molecular formula C10H11F5O4S and molecular weight 322.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2,4-dioxopentan-3-ylsulfanyl(difluoro)methyl]-3,3,3-trifluoropropanoate
Also Known As: A2805/0118598, methyl 3-[(2,4-dioxopentan-3-yl)sulfanyl]-3,3-difluoro-2-(trifluoromethyl)propanoate, methyl 2-[2,4-dioxopentan-3-ylsulfanyl(difluoro)methyl]-3,3,3-trifluoropropanoate, methyl 3-((2,4-dioxopentan-3-yl)thio)-3,3-difluoro-2-(trifluoromethyl)propanoate, Methyl 3-[(1-acetyl-2-oxopropyl)sulfanyl]-3,3-difluoro-2-(trifluoromethyl)propanoate #
| Molecular Formula | C10H11F5O4S |
|---|---|
| Molecular Weight | 322.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 85.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.02982 |
| Heavy Atoms | 20 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 446051-76-9 |
|---|---|
| SMILES | CC(=O)C(C(=O)C)SC(C(C(=O)OC)C(F)(F)F)(F)F |
| InChIKey | UHBCHPAABXCBQC-UHFFFAOYSA-N |
Product Overview
A2805/0118598 (CAS 446051-76-9), with molecular formula C10H11F5O4S and molecular weight 322.03 g/mol. IUPAC: methyl 2-[2,4-dioxopentan-3-ylsulfanyl(difluoro)methyl]-3,3,3-trifluoropropanoate.
Chemical Property Profile of A2805/0118598
Property Insights of A2805/0118598
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2805/0118598. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for A2805/0118598. Following Lipinski's Rule of Five, A2805/0118598 has 0 hydrogen bond donor(s) and 10 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 A2805/0118598?
The CAS number of A2805/0118598 is 446051-76-9.
What is the molecular formula of A2805/0118598?
The molecular formula of A2805/0118598 is C10H11F5O4S.
What is the molecular weight of A2805/0118598?
The molecular weight of A2805/0118598 is 322.03 g/mol.
Where can I buy A2805/0118598?
You can request a quote for A2805/0118598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2805/0118598?
Yes, KEHONG BIO provides custom synthesis services for A2805/0118598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.