BAS 00486574
TL;DR: BAS 00486574 (CAS 312949-31-8) is a chemical compound with molecular formula C17H19NO4S and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(furan-2-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00486574, F0866-0516, ethyl 2-(2-furoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(furan-2-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Ethyl 2-[(2-furanylcarbonyl)amino]-4,5,6,7-tetrahydro-6-methylbenzo[b]thiophene-3-carboxylate
| Molecular Formula | C17H19NO4S |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 3.8949 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.1035 |
| Heavy Atoms | 23 |
| Complexity | 717.28394 |
Chemical Identifiers
| CAS Number | 312949-31-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=CO3 |
Product Overview
BAS 00486574 (CAS 312949-31-8), with molecular formula C17H19NO4S and molecular weight 333.10 g/mol. IUPAC: ethyl 2-(furan-2-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00486574
Property Insights of BAS 00486574
The XLogP value of 3.8949 indicates that BAS 00486574 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00486574. Following Lipinski's Rule of Five, BAS 00486574 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 00486574?
The CAS number of BAS 00486574 is 312949-31-8.
What is the molecular formula of BAS 00486574?
The molecular formula of BAS 00486574 is C17H19NO4S.
What is the molecular weight of BAS 00486574?
The molecular weight of BAS 00486574 is 333.10 g/mol.
Where can I buy BAS 00486574?
You can request a quote for BAS 00486574 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486574?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486574 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.