BAS 00700461
TL;DR: BAS 00700461 (CAS 331964-57-9) is a chemical compound with molecular formula C18H20N2O2S2 and molecular weight 360.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: BAS 00700461, BIM-0028139.P001, AB00093404-01, AJ-292/40226910, ethyl 2-(3-benzylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C18H20N2O2S2 |
|---|---|
| Molecular Weight | 360.10 g/mol |
| LogP | 3.9001 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.09662 |
| Heavy Atoms | 24 |
| Complexity | 740.97705 |
Chemical Identifiers
| CAS Number | 331964-57-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NCC3=CC=CC=C3 |
Product Overview
BAS 00700461 (CAS 331964-57-9), with molecular formula C18H20N2O2S2 and molecular weight 360.10 g/mol. IUPAC: ethyl 2-(benzylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of BAS 00700461
Property Insights of BAS 00700461
The XLogP value of 3.9001 indicates that BAS 00700461 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, BAS 00700461 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00700461 has 2 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 00700461?
The CAS number of BAS 00700461 is 331964-57-9.
What is the molecular formula of BAS 00700461?
The molecular formula of BAS 00700461 is C18H20N2O2S2.
What is the molecular weight of BAS 00700461?
The molecular weight of BAS 00700461 is 360.10 g/mol.
Where can I buy BAS 00700461?
You can request a quote for BAS 00700461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00700461?
Yes, KEHONG BIO provides custom synthesis services for BAS 00700461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.