(1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-butyl-8-chloro-3-methyl-4-phenyl-, methanesulfonate
TL;DR: (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-butyl-8-chloro-3-methyl-4-phenyl-, methanesulfonate (CAS 70547-21-6) is a chemical compound with molecular formula C23H28ClNO3S2 and molecular weight 465.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-8-chloro-3-methyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;methanesulfonic acid
Also Known As: (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-butyl-8-chloro-3-methyl-4-phenyl-, methanesulfonate, 2-butyl-8-chloro-3-methyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine; methanesulfonic acid, Methanesulfonic acid--2-butyl-8-chloro-3-methyl-4-phenyl-1,2,3,4-tetrahydro[1]benzothieno[3,2-c]pyridine (1/1), RefChem:203896
| Molecular Formula | C23H28ClNO3S2 |
|---|---|
| Molecular Weight | 465.12 g/mol |
| LogP | 6.1948 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 465.1199 |
| Heavy Atoms | 30 |
| Complexity | 1088.3386 |
Chemical Identifiers
| CAS Number | 70547-21-6 |
|---|---|
| SMILES | CCCCN1CC2=C(C(C1C)C3=CC=CC=C3)SC4=C2C=C(C=C4)Cl.CS(=O)(=O)O |
Product Overview
(1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-butyl-8-chloro-3-methyl-4-phenyl-, methanesulfonate (CAS 70547-21-6), with molecular formula C23H28ClNO3S2 and molecular weight 465.12 g/mol. IUPAC: 2-butyl-8-chloro-3-methyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;methanesulfonic acid.
Chemical Property Profile of (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-butyl-8-chloro-3-methyl-4-phenyl-, methanesulfonate
Property Insights of (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-butyl-8-chloro-3-methyl-4-phenyl-, methanesulfonate
The XLogP value of 6.1948 indicates that (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-butyl-8-chloro-3-methyl-4-phenyl-, methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-butyl-8-chloro-3-methyl-4-phenyl-, methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-butyl-8-chloro-3-methyl-4-phenyl-, methanesulfonate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-butyl-8-chloro-3-methyl-4-phenyl-, methanesulfonate?
The CAS number of (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-butyl-8-chloro-3-methyl-4-phenyl-, methanesulfonate is 70547-21-6.
What is the molecular formula of (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-butyl-8-chloro-3-methyl-4-phenyl-, methanesulfonate?
The molecular formula of (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-butyl-8-chloro-3-methyl-4-phenyl-, methanesulfonate is C23H28ClNO3S2.
What is the molecular weight of (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-butyl-8-chloro-3-methyl-4-phenyl-, methanesulfonate?
The molecular weight of (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-butyl-8-chloro-3-methyl-4-phenyl-, methanesulfonate is 465.12 g/mol.
Where can I buy (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-butyl-8-chloro-3-methyl-4-phenyl-, methanesulfonate?
You can request a quote for (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-butyl-8-chloro-3-methyl-4-phenyl-, methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-butyl-8-chloro-3-methyl-4-phenyl-, methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-butyl-8-chloro-3-methyl-4-phenyl-, methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.