ChemDiv1_003220
TL;DR: ChemDiv1_003220 (CAS 6044-11-7) is a chemical compound with molecular formula C26H29FN2O4S and molecular weight 484.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(adamantane-1-carbonylamino)-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Also Known As: ChemDiv1_003220, BIM-0041777.P001, ETHYL 2-(ADAMANTANE-1-AMIDO)-5-[(2-FLUOROPHENYL)CARBAMOYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-(adamantane-1-carbonylamino)-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate, Ethyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]thiophene-3-carboxylate
| Molecular Formula | C26H29FN2O4S |
|---|---|
| Molecular Weight | 484.18 g/mol |
| LogP | 5.77952 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.1832 |
| Heavy Atoms | 34 |
| Complexity | 1122.3804 |
Chemical Identifiers
| CAS Number | 6044-11-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2F)NC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
ChemDiv1_003220 (CAS 6044-11-7), with molecular formula C26H29FN2O4S and molecular weight 484.18 g/mol. IUPAC: ethyl 2-(adamantane-1-carbonylamino)-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_003220
Property Insights of ChemDiv1_003220
The XLogP value of 5.77952 indicates that ChemDiv1_003220 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003220. Following Lipinski's Rule of Five, ChemDiv1_003220 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 ChemDiv1_003220?
The CAS number of ChemDiv1_003220 is 6044-11-7.
What is the molecular formula of ChemDiv1_003220?
The molecular formula of ChemDiv1_003220 is C26H29FN2O4S.
What is the molecular weight of ChemDiv1_003220?
The molecular weight of ChemDiv1_003220 is 484.18 g/mol.
Where can I buy ChemDiv1_003220?
You can request a quote for ChemDiv1_003220 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003220?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003220 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.