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2-(Acetylamino)-4,5-dihydronaphtho[1,2-b]thiophene-3-carboxylic acid
TL;DR: 2-(Acetylamino)-4,5-dihydronaphtho[1,2-b]thiophene-3-carboxylic acid (CAS 433688-29-0) is a chemical compound with molecular formula C15H13NO3S and molecular weight 287.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylic acid
Also Known As: ChemDiv3_006457, BAS 04056731, 2-(acetylamino)-4,5-dihydronaphtho[1,2-b]thiophene-3-carboxylic acid, IDI1_024367, Y-0178
| Molecular Formula | C15H13NO3S |
|---|---|
| Molecular Weight | 287.06 g/mol |
| LogP | 3.1703 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.0616 |
| Heavy Atoms | 20 |
| Complexity | 717.9039 |
Chemical Identifiers
| CAS Number | 433688-29-0 |
|---|---|
| SMILES | CC(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C(=O)O |
Product Overview
2-(Acetylamino)-4,5-dihydronaphtho[1,2-b]thiophene-3-carboxylic acid (CAS 433688-29-0), with molecular formula C15H13NO3S and molecular weight 287.06 g/mol. IUPAC: 2-acetamido-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylic acid.
Chemical Property Profile of 2-(Acetylamino)-4,5-dihydronaphtho[1,2-b]thiophene-3-carboxylic acid
Property Insights of 2-(Acetylamino)-4,5-dihydronaphtho[1,2-b]thiophene-3-carboxylic acid
The XLogP value of 3.1703 indicates that 2-(Acetylamino)-4,5-dihydronaphtho[1,2-b]thiophene-3-carboxylic acid 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 2-(Acetylamino)-4,5-dihydronaphtho[1,2-b]thiophene-3-carboxylic acid. Following Lipinski's Rule of Five, 2-(Acetylamino)-4,5-dihydronaphtho[1,2-b]thiophene-3-carboxylic acid 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 2-(Acetylamino)-4,5-dihydronaphtho[1,2-b]thiophene-3-carboxylic acid?
The CAS number of 2-(Acetylamino)-4,5-dihydronaphtho[1,2-b]thiophene-3-carboxylic acid is 433688-29-0.
What is the molecular formula of 2-(Acetylamino)-4,5-dihydronaphtho[1,2-b]thiophene-3-carboxylic acid?
The molecular formula of 2-(Acetylamino)-4,5-dihydronaphtho[1,2-b]thiophene-3-carboxylic acid is C15H13NO3S.
What is the molecular weight of 2-(Acetylamino)-4,5-dihydronaphtho[1,2-b]thiophene-3-carboxylic acid?
The molecular weight of 2-(Acetylamino)-4,5-dihydronaphtho[1,2-b]thiophene-3-carboxylic acid is 287.06 g/mol.
Where can I buy 2-(Acetylamino)-4,5-dihydronaphtho[1,2-b]thiophene-3-carboxylic acid?
You can request a quote for 2-(Acetylamino)-4,5-dihydronaphtho[1,2-b]thiophene-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetylamino)-4,5-dihydronaphtho[1,2-b]thiophene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetylamino)-4,5-dihydronaphtho[1,2-b]thiophene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.