A2336/0098601
TL;DR: A2336/0098601 (CAS 373618-83-8) is a chemical compound with molecular formula C19H26F3N3O5S and molecular weight 465.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(dimethylcarbamoylamino)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: A2336/0098601, methyl 2-((2-(3,3-dimethylureido)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, METHYL 2-({2-[(DIMETHYLCARBAMOYL)AMINO]-3-ETHOXY-1,1,1-TRIFLUORO-3-OXOPROPAN-2-YL}AMINO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE, methyl 2-({2-[(dimethylcarbamoyl)amino]-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-[[2-(dimethylcarbamoylamino)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C19H26F3N3O5S |
|---|---|
| Molecular Weight | 465.15 g/mol |
| LogP | 3.3084 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.15454 |
| Heavy Atoms | 31 |
| Complexity | 840.49005 |
Chemical Identifiers
| CAS Number | 373618-83-8 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCCC2)C(=O)OC)NC(=O)N(C)C |
Product Overview
A2336/0098601 (CAS 373618-83-8), with molecular formula C19H26F3N3O5S and molecular weight 465.15 g/mol. IUPAC: methyl 2-[[2-(dimethylcarbamoylamino)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of A2336/0098601
Property Insights of A2336/0098601
The XLogP value of 3.3084 indicates that A2336/0098601 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for A2336/0098601. Following Lipinski's Rule of Five, A2336/0098601 has 2 hydrogen bond donor(s) and 7 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 A2336/0098601?
The CAS number of A2336/0098601 is 373618-83-8.
What is the molecular formula of A2336/0098601?
The molecular formula of A2336/0098601 is C19H26F3N3O5S.
What is the molecular weight of A2336/0098601?
The molecular weight of A2336/0098601 is 465.15 g/mol.
Where can I buy A2336/0098601?
You can request a quote for A2336/0098601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2336/0098601?
Yes, KEHONG BIO provides custom synthesis services for A2336/0098601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.