![Benzo[b]selenophene-5-thiol structure](/static/products/6454/6454-94-0.webp)
Benzo[b]selenophene-5-thiol
TL;DR: Benzo[b]selenophene-5-thiol (CAS 6454-94-0) is a chemical compound with molecular formula C22H14Cl2FNO3S2 and molecular weight 492.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate
Also Known As: Benzo[b]selenophene-5-thiol, ethyl 2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate, 1,3-Dioxane-2-aceticacid,2,4,6,6-tetramethyl-,ethyl ester, ethyl 2-{[(3,6-dichloro-1-benzothien-2-yl)carbonyl]amino}-4-(4-fluorophenyl)-3-thiophenecarboxylate, 3,6-Dichloro-N-[3-(ethoxycarbonyl)-4-(4-fluorophenyl)thiophen-2-yl]-1-benzothiophene-2-carboximidic acid
| Molecular Formula | C22H14Cl2FNO3S2 |
|---|---|
| Molecular Weight | 492.98 g/mol |
| LogP | 7.5047 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.97763 |
| Heavy Atoms | 31 |
| Complexity | 1298.3298 |
Chemical Identifiers
| CAS Number | 6454-94-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl |
Product Overview
Benzo[b]selenophene-5-thiol (CAS 6454-94-0), with molecular formula C22H14Cl2FNO3S2 and molecular weight 492.98 g/mol. IUPAC: ethyl 2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate.
Chemical Property Profile of Benzo[b]selenophene-5-thiol
Property Insights of Benzo[b]selenophene-5-thiol
The XLogP value of 7.5047 indicates that Benzo[b]selenophene-5-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Benzo[b]selenophene-5-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[b]selenophene-5-thiol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo[b]selenophene-5-thiol?
The CAS number of Benzo[b]selenophene-5-thiol is 6454-94-0.
What is the molecular formula of Benzo[b]selenophene-5-thiol?
The molecular formula of Benzo[b]selenophene-5-thiol is C22H14Cl2FNO3S2.
What is the molecular weight of Benzo[b]selenophene-5-thiol?
The molecular weight of Benzo[b]selenophene-5-thiol is 492.98 g/mol.
Where can I buy Benzo[b]selenophene-5-thiol?
You can request a quote for Benzo[b]selenophene-5-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[b]selenophene-5-thiol?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]selenophene-5-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.