2-(4-Amidinophenyl)benzo(b)thiophene-6-carboxamidine
TL;DR: 2-(4-Amidinophenyl)benzo(b)thiophene-6-carboxamidine (CAS 4816-14-2) is a chemical compound with molecular formula C16H14N4S and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-carbamimidoylphenyl)-1-benzothiophene-6-carboximidamide
Also Known As: 4',6-Diamidinophenyl-thionaphthene, DAPI-S, 2-(4-Amidinophenyl)benzo(b)thiophene-6-carboxamidine, 2-(4-carbamimidoylphenyl)-1-benzothiophene-6-carboximidamide, 2-(4-Amidinophenyl)benzo[b]thiophene-6-carboxamidine
| Molecular Formula | C16H14N4S |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.0939 |
| Heavy Atoms | 21 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 4816-14-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC3=C(S2)C=C(C=C3)C(=N)N)C(=N)N |
| InChIKey | SPCBWDMYJMBYDT-UHFFFAOYSA-N |
Product Overview
2-(4-Amidinophenyl)benzo(b)thiophene-6-carboxamidine (CAS 4816-14-2), with molecular formula C16H14N4S and molecular weight 294.09 g/mol. IUPAC: 2-(4-carbamimidoylphenyl)-1-benzothiophene-6-carboximidamide.
Chemical Property Profile of 2-(4-Amidinophenyl)benzo(b)thiophene-6-carboxamidine
Property Insights of 2-(4-Amidinophenyl)benzo(b)thiophene-6-carboxamidine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Amidinophenyl)benzo(b)thiophene-6-carboxamidine. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Amidinophenyl)benzo(b)thiophene-6-carboxamidine. Following Lipinski's Rule of Five, 2-(4-Amidinophenyl)benzo(b)thiophene-6-carboxamidine has 4 hydrogen bond donor(s) and 3 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 2-(4-Amidinophenyl)benzo(b)thiophene-6-carboxamidine?
The CAS number of 2-(4-Amidinophenyl)benzo(b)thiophene-6-carboxamidine is 4816-14-2.
What is the molecular formula of 2-(4-Amidinophenyl)benzo(b)thiophene-6-carboxamidine?
The molecular formula of 2-(4-Amidinophenyl)benzo(b)thiophene-6-carboxamidine is C16H14N4S.
What is the molecular weight of 2-(4-Amidinophenyl)benzo(b)thiophene-6-carboxamidine?
The molecular weight of 2-(4-Amidinophenyl)benzo(b)thiophene-6-carboxamidine is 294.09 g/mol.
Where can I buy 2-(4-Amidinophenyl)benzo(b)thiophene-6-carboxamidine?
You can request a quote for 2-(4-Amidinophenyl)benzo(b)thiophene-6-carboxamidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Amidinophenyl)benzo(b)thiophene-6-carboxamidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Amidinophenyl)benzo(b)thiophene-6-carboxamidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.