BAS 00486661
TL;DR: BAS 00486661 (CAS 329067-74-5) is a chemical compound with molecular formula C17H19NO3S2 and molecular weight 349.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00486661, BIM-0025374.P001, UPCMLD0ENAT0513-7065:001, 1,1,1-trifluoro-5-phenyl-4-oxa-2-pentanone, F0825-0113
| Molecular Formula | C17H19NO3S2 |
|---|---|
| Molecular Weight | 349.08 g/mol |
| LogP | 4.3634 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.08063 |
| Heavy Atoms | 23 |
| Complexity | 718.52905 |
Chemical Identifiers
| CAS Number | 329067-74-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=CS3 |
Product Overview
BAS 00486661 (CAS 329067-74-5), with molecular formula C17H19NO3S2 and molecular weight 349.08 g/mol. IUPAC: ethyl 6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00486661
Property Insights of BAS 00486661
The XLogP value of 4.3634 indicates that BAS 00486661 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 00486661 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00486661 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 00486661?
The CAS number of BAS 00486661 is 329067-74-5.
What is the molecular formula of BAS 00486661?
The molecular formula of BAS 00486661 is C17H19NO3S2.
What is the molecular weight of BAS 00486661?
The molecular weight of BAS 00486661 is 349.08 g/mol.
Where can I buy BAS 00486661?
You can request a quote for BAS 00486661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486661?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.