AE-848/14137055
TL;DR: AE-848/14137055 (CAS 342383-88-4) is a chemical compound with molecular formula C15H21NO3S and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid
Also Known As: AE-848/14137055, 2-(3-methylbutanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-(3-methylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[(3-methylbutanoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid, 9-(3-methylbutanoylamino)-8-thiabicyclo[5.3.0]deca-9,11-diene-10-carboxylic Acid
| Molecular Formula | C15H21NO3S |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 3.6998 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.1242 |
| Heavy Atoms | 20 |
| Complexity | 519.4335 |
Chemical Identifiers
| CAS Number | 342383-88-4 |
|---|---|
| SMILES | CC(C)CC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)O |
Product Overview
AE-848/14137055 (CAS 342383-88-4), with molecular formula C15H21NO3S and molecular weight 295.12 g/mol. IUPAC: 2-(3-methylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid.
Chemical Property Profile of AE-848/14137055
Property Insights of AE-848/14137055
The XLogP value of 3.6998 indicates that AE-848/14137055 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/14137055. Following Lipinski's Rule of Five, AE-848/14137055 has 2 hydrogen bond donor(s) and 3 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 AE-848/14137055?
The CAS number of AE-848/14137055 is 342383-88-4.
What is the molecular formula of AE-848/14137055?
The molecular formula of AE-848/14137055 is C15H21NO3S.
What is the molecular weight of AE-848/14137055?
The molecular weight of AE-848/14137055 is 295.12 g/mol.
Where can I buy AE-848/14137055?
You can request a quote for AE-848/14137055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/14137055?
Yes, KEHONG BIO provides custom synthesis services for AE-848/14137055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.