AB00684065-01
TL;DR: AB00684065-01 (CAS 328038-33-1) is a chemical compound with molecular formula C16H16N2O5S2 and molecular weight 380.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-nitrothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AB00684065-01, F0180-0174, ETHYL 2-(5-NITROTHIOPHENE-2-AMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-(5-nitrothiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(5-nitrothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C16H16N2O5S2 |
|---|---|
| Molecular Weight | 380.05 g/mol |
| LogP | 4.0256 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.05005 |
| Heavy Atoms | 25 |
| Complexity | 839.6938 |
Chemical Identifiers
| CAS Number | 328038-33-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(S3)[N+](=O)[O-] |
Product Overview
AB00684065-01 (CAS 328038-33-1), with molecular formula C16H16N2O5S2 and molecular weight 380.05 g/mol. IUPAC: ethyl 2-[(5-nitrothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AB00684065-01
Property Insights of AB00684065-01
The XLogP value of 4.0256 indicates that AB00684065-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684065-01. Following Lipinski's Rule of Five, AB00684065-01 has 1 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 AB00684065-01?
The CAS number of AB00684065-01 is 328038-33-1.
What is the molecular formula of AB00684065-01?
The molecular formula of AB00684065-01 is C16H16N2O5S2.
What is the molecular weight of AB00684065-01?
The molecular weight of AB00684065-01 is 380.05 g/mol.
Where can I buy AB00684065-01?
You can request a quote for AB00684065-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684065-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684065-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.