BAS 00486417
TL;DR: BAS 00486417 (CAS 301321-86-8) is a chemical compound with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(pyridine-4-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: BAS 00486417, ethyl 2-(pyridine-4-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, AE-848/34090029, ethyl 2-(4-pyridylcarbonylamino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-ca rboxylate, ethyl 2-(isonicotinamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C16H16N2O3S |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.08817 |
| Heavy Atoms | 22 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 301321-86-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=NC=C3 |
| InChIKey | MMKRSGAAIIRLKZ-UHFFFAOYSA-N |
Product Overview
BAS 00486417 (CAS 301321-86-8), with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol. IUPAC: ethyl 2-(pyridine-4-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of BAS 00486417
Property Insights of BAS 00486417
The XLogP value of 3.2 indicates that BAS 00486417 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00486417. Following Lipinski's Rule of Five, BAS 00486417 has 1 hydrogen bond donor(s) and 5 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 BAS 00486417?
The CAS number of BAS 00486417 is 301321-86-8.
What is the molecular formula of BAS 00486417?
The molecular formula of BAS 00486417 is C16H16N2O3S.
What is the molecular weight of BAS 00486417?
The molecular weight of BAS 00486417 is 316.09 g/mol.
Where can I buy BAS 00486417?
You can request a quote for BAS 00486417 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486417?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486417 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.