BAS 00435718
TL;DR: BAS 00435718 (CAS 42062-89-5) is a chemical compound with molecular formula C15H20N2O2S2 and molecular weight 324.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(prop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00435718, ethyl 2-(prop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-(PROP-2-ENYLTHIOCARBAMOYLAMINO)-4,5,6,7-TETRAHYDROBENZOTHIOPHENE-3-CARBOXYLATE, N'-Allyl-N-[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]carbamimidothioic acid, Ethyl 2-{[(prop-2-en-1-yl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C15H20N2O2S2 |
|---|---|
| Molecular Weight | 324.10 g/mol |
| LogP | 3.276 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.09662 |
| Heavy Atoms | 21 |
| Complexity | 552.11365 |
Chemical Identifiers
| CAS Number | 42062-89-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCC=C |
Product Overview
BAS 00435718 (CAS 42062-89-5), with molecular formula C15H20N2O2S2 and molecular weight 324.10 g/mol. IUPAC: ethyl 2-(prop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00435718
Property Insights of BAS 00435718
The XLogP value of 3.276 indicates that BAS 00435718 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 00435718 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00435718 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 00435718?
The CAS number of BAS 00435718 is 42062-89-5.
What is the molecular formula of BAS 00435718?
The molecular formula of BAS 00435718 is C15H20N2O2S2.
What is the molecular weight of BAS 00435718?
The molecular weight of BAS 00435718 is 324.10 g/mol.
Where can I buy BAS 00435718?
You can request a quote for BAS 00435718 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00435718?
Yes, KEHONG BIO provides custom synthesis services for BAS 00435718 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.