BAS 00486817
TL;DR: BAS 00486817 (CAS 76981-76-5) is a chemical compound with molecular formula C20H23NO3S and molecular weight 357.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-phenylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: BAS 00486817, BIM-0025376.P001, ethyl 2-[(2-phenylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ETHYL 2-(2-PHENYLACETAMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE, ethyl 2-(2-phenylacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C20H23NO3S |
|---|---|
| Molecular Weight | 357.14 g/mol |
| LogP | 4.3749 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.13986 |
| Heavy Atoms | 25 |
| Complexity | 751.8018 |
Chemical Identifiers
| CAS Number | 76981-76-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CC3=CC=CC=C3 |
Product Overview
BAS 00486817 (CAS 76981-76-5), with molecular formula C20H23NO3S and molecular weight 357.14 g/mol. IUPAC: ethyl 2-[(2-phenylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of BAS 00486817
Property Insights of BAS 00486817
The XLogP value of 4.3749 indicates that BAS 00486817 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 00486817 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00486817 has 1 hydrogen bond donor(s) and 4 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 00486817?
The CAS number of BAS 00486817 is 76981-76-5.
What is the molecular formula of BAS 00486817?
The molecular formula of BAS 00486817 is C20H23NO3S.
What is the molecular weight of BAS 00486817?
The molecular weight of BAS 00486817 is 357.14 g/mol.
Where can I buy BAS 00486817?
You can request a quote for BAS 00486817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486817?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.