![7-chloro-2-(2-hydroxyethyl)-2-methyl-2,3-dihydro-1H-[1]benzothieno[2,3-c]pyrrol-2-ium structure](/static/products/6958/695805-91-5.webp)
7-chloro-2-(2-hydroxyethyl)-2-methyl-2,3-dihydro-1H-[1]benzothieno[2,3-c]pyrrol-2-ium
TL;DR: 7-chloro-2-(2-hydroxyethyl)-2-methyl-2,3-dihydro-1H-[1]benzothieno[2,3-c]pyrrol-2-ium (CAS 695805-91-5) is a chemical compound with molecular formula C13H15ClNOS+ and molecular weight 268.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-chloro-2-methyl-1,3-dihydro-[1]benzothiolo[2,3-c]pyrrol-2-ium-2-yl)ethanol
Also Known As: 7-chloro-2-(2-hydroxyethyl)-2-methyl-2,3-dihydro-1H-[1]benzothieno[2,3-c]pyrrol-2-ium, AA-516/33241014, 2-(7-chloro-2-methyl-1,3-dihydro-[1]benzothiolo[2,3-c]pyrrol-2-ium-2-yl)ethanol
| Molecular Formula | C13H15ClNOS+ |
|---|---|
| Molecular Weight | 268.06 g/mol |
| LogP | 3.0072 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.05627 |
| Heavy Atoms | 17 |
| Complexity | 580.0483 |
Chemical Identifiers
| CAS Number | 695805-91-5 |
|---|---|
| SMILES | C[N+]1(CC2=C(C1)SC3=C2C=C(C=C3)Cl)CCO |
Product Overview
7-chloro-2-(2-hydroxyethyl)-2-methyl-2,3-dihydro-1H-[1]benzothieno[2,3-c]pyrrol-2-ium (CAS 695805-91-5), with molecular formula C13H15ClNOS+ and molecular weight 268.06 g/mol. IUPAC: 2-(7-chloro-2-methyl-1,3-dihydro-[1]benzothiolo[2,3-c]pyrrol-2-ium-2-yl)ethanol.
Chemical Property Profile of 7-chloro-2-(2-hydroxyethyl)-2-methyl-2,3-dihydro-1H-[1]benzothieno[2,3-c]pyrrol-2-ium
Property Insights of 7-chloro-2-(2-hydroxyethyl)-2-methyl-2,3-dihydro-1H-[1]benzothieno[2,3-c]pyrrol-2-ium
The XLogP value of 3.0072 indicates that 7-chloro-2-(2-hydroxyethyl)-2-methyl-2,3-dihydro-1H-[1]benzothieno[2,3-c]pyrrol-2-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, 7-chloro-2-(2-hydroxyethyl)-2-methyl-2,3-dihydro-1H-[1]benzothieno[2,3-c]pyrrol-2-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-chloro-2-(2-hydroxyethyl)-2-methyl-2,3-dihydro-1H-[1]benzothieno[2,3-c]pyrrol-2-ium has 1 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 7-chloro-2-(2-hydroxyethyl)-2-methyl-2,3-dihydro-1H-[1]benzothieno[2,3-c]pyrrol-2-ium?
The CAS number of 7-chloro-2-(2-hydroxyethyl)-2-methyl-2,3-dihydro-1H-[1]benzothieno[2,3-c]pyrrol-2-ium is 695805-91-5.
What is the molecular formula of 7-chloro-2-(2-hydroxyethyl)-2-methyl-2,3-dihydro-1H-[1]benzothieno[2,3-c]pyrrol-2-ium?
The molecular formula of 7-chloro-2-(2-hydroxyethyl)-2-methyl-2,3-dihydro-1H-[1]benzothieno[2,3-c]pyrrol-2-ium is C13H15ClNOS+.
What is the molecular weight of 7-chloro-2-(2-hydroxyethyl)-2-methyl-2,3-dihydro-1H-[1]benzothieno[2,3-c]pyrrol-2-ium?
The molecular weight of 7-chloro-2-(2-hydroxyethyl)-2-methyl-2,3-dihydro-1H-[1]benzothieno[2,3-c]pyrrol-2-ium is 268.06 g/mol.
Where can I buy 7-chloro-2-(2-hydroxyethyl)-2-methyl-2,3-dihydro-1H-[1]benzothieno[2,3-c]pyrrol-2-ium?
You can request a quote for 7-chloro-2-(2-hydroxyethyl)-2-methyl-2,3-dihydro-1H-[1]benzothieno[2,3-c]pyrrol-2-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-chloro-2-(2-hydroxyethyl)-2-methyl-2,3-dihydro-1H-[1]benzothieno[2,3-c]pyrrol-2-ium?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-2-(2-hydroxyethyl)-2-methyl-2,3-dihydro-1H-[1]benzothieno[2,3-c]pyrrol-2-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.