AE-848/11104167
TL;DR: AE-848/11104167 (CAS 331837-47-9) is a chemical compound with molecular formula C23H29NO4S2 and molecular weight 447.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,5-dimethyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate
Also Known As: AE-848/11104167, ethyl 2-(4-isobutoxybenzamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate, ethyl 2-[(4-isobutoxybenzoyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylate, ethyl 5,5-dimethyl-2-({[4-(2-methylpropoxy)phenyl]carbonyl}amino)-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylate, ethyl 5,5-dimethyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate
| Molecular Formula | C23H29NO4S2 |
|---|---|
| Molecular Weight | 447.15 g/mol |
| LogP | 5.7798 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.1538 |
| Heavy Atoms | 30 |
| Complexity | 916.0295 |
Chemical Identifiers
| CAS Number | 331837-47-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(SC2)(C)C)NC(=O)C3=CC=C(C=C3)OCC(C)C |
Product Overview
AE-848/11104167 (CAS 331837-47-9), with molecular formula C23H29NO4S2 and molecular weight 447.15 g/mol. IUPAC: ethyl 5,5-dimethyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate.
Chemical Property Profile of AE-848/11104167
Property Insights of AE-848/11104167
The XLogP value of 5.7798 indicates that AE-848/11104167 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/11104167. Following Lipinski's Rule of Five, AE-848/11104167 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/11104167?
The CAS number of AE-848/11104167 is 331837-47-9.
What is the molecular formula of AE-848/11104167?
The molecular formula of AE-848/11104167 is C23H29NO4S2.
What is the molecular weight of AE-848/11104167?
The molecular weight of AE-848/11104167 is 447.15 g/mol.
Where can I buy AE-848/11104167?
You can request a quote for AE-848/11104167 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/11104167?
Yes, KEHONG BIO provides custom synthesis services for AE-848/11104167 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.