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Benzo[b]thiophene-3-carboxamidine hydrochloride hydrate
TL;DR: Benzo[b]thiophene-3-carboxamidine hydrochloride hydrate (CAS 465515-36-0) is a chemical compound with molecular formula C9H11ClN2OS and molecular weight 230.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzothiophene-3-carboximidamide;hydrate;hydrochloride
Also Known As: Benzo[b]thiophene-3-carboxamidine hydrochloride hydrate, 1-benzothiophene-3-carboximidamidine hydrochloride, Benzo[b]thiophene-3-carboximidamide hydrochloride hydrate, 1-benzothiophene-3-carboximidamide hydrate hydrochloride, 1-Benzothiophene-3-carboximidamidine, HCl hydrate
| Molecular Formula | C9H11ClN2OS |
|---|---|
| Molecular Weight | 230.03 g/mol |
| LogP | 1.78247 |
| Topological Polar Surface Area | 81.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.02806 |
| Heavy Atoms | 14 |
| Complexity | 441.0595 |
Chemical Identifiers
| CAS Number | 465515-36-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CS2)C(=N)N.O.Cl |
Product Overview
Benzo[b]thiophene-3-carboxamidine hydrochloride hydrate (CAS 465515-36-0), with molecular formula C9H11ClN2OS and molecular weight 230.03 g/mol. IUPAC: 1-benzothiophene-3-carboximidamide;hydrate;hydrochloride.
Chemical Property Profile of Benzo[b]thiophene-3-carboxamidine hydrochloride hydrate
Property Insights of Benzo[b]thiophene-3-carboxamidine hydrochloride hydrate
The XLogP value of 1.78247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[b]thiophene-3-carboxamidine hydrochloride hydrate. The TPSA of 81.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo[b]thiophene-3-carboxamidine hydrochloride hydrate. Following Lipinski's Rule of Five, Benzo[b]thiophene-3-carboxamidine hydrochloride hydrate has 2 hydrogen bond donor(s) and 2 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 Benzo[b]thiophene-3-carboxamidine hydrochloride hydrate?
The CAS number of Benzo[b]thiophene-3-carboxamidine hydrochloride hydrate is 465515-36-0.
What is the molecular formula of Benzo[b]thiophene-3-carboxamidine hydrochloride hydrate?
The molecular formula of Benzo[b]thiophene-3-carboxamidine hydrochloride hydrate is C9H11ClN2OS.
What is the molecular weight of Benzo[b]thiophene-3-carboxamidine hydrochloride hydrate?
The molecular weight of Benzo[b]thiophene-3-carboxamidine hydrochloride hydrate is 230.03 g/mol.
Where can I buy Benzo[b]thiophene-3-carboxamidine hydrochloride hydrate?
You can request a quote for Benzo[b]thiophene-3-carboxamidine hydrochloride hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[b]thiophene-3-carboxamidine hydrochloride hydrate?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophene-3-carboxamidine hydrochloride hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.