BAS 00343804
TL;DR: BAS 00343804 (CAS 324065-40-9) is a chemical compound with molecular formula C18H18INO3S and molecular weight 455.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-iodobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00343804, ethyl 2-{[(3-iodophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-(3-IODOBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-[(3-iodobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(3-iodobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
| Molecular Formula | C18H18INO3S |
|---|---|
| Molecular Weight | 455.01 g/mol |
| LogP | 4.6605 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.00522 |
| Heavy Atoms | 24 |
| Complexity | 784.5662 |
Chemical Identifiers
| CAS Number | 324065-40-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CC=C3)I |
Product Overview
BAS 00343804 (CAS 324065-40-9), with molecular formula C18H18INO3S and molecular weight 455.01 g/mol. IUPAC: ethyl 2-[(3-iodobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00343804
Property Insights of BAS 00343804
The XLogP value of 4.6605 indicates that BAS 00343804 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 00343804 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00343804 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 00343804?
The CAS number of BAS 00343804 is 324065-40-9.
What is the molecular formula of BAS 00343804?
The molecular formula of BAS 00343804 is C18H18INO3S.
What is the molecular weight of BAS 00343804?
The molecular weight of BAS 00343804 is 455.01 g/mol.
Where can I buy BAS 00343804?
You can request a quote for BAS 00343804 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00343804?
Yes, KEHONG BIO provides custom synthesis services for BAS 00343804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.