(1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-8-chloro-3-methyl-4-phenyl-2-(phenylmethyl)-, methanesulfonate
TL;DR: (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-8-chloro-3-methyl-4-phenyl-2-(phenylmethyl)-, methanesulfonate (CAS 70547-12-5) is a chemical compound with molecular formula C26H26ClNO3S2 and molecular weight 499.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-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-8-chloro-3-methyl-4-phenyl-2-(phenylmethyl)-, methanesulfonate, 2-benzyl-8-chloro-3-methyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine; methanesulfonic acid, Methanesulfonic acid--2-benzyl-8-chloro-3-methyl-4-phenyl-1,2,3,4-tetrahydro[1]benzothieno[3,2-c]pyridine (1/1), RefChem:203907
| Molecular Formula | C26H26ClNO3S2 |
|---|---|
| Molecular Weight | 499.10 g/mol |
| LogP | 6.5949 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 499.10428 |
| Heavy Atoms | 33 |
| Complexity | 1330.242 |
Chemical Identifiers
| CAS Number | 70547-12-5 |
|---|---|
| SMILES | CC1C(C2=C(CN1CC3=CC=CC=C3)C4=C(S2)C=CC(=C4)Cl)C5=CC=CC=C5.CS(=O)(=O)O |
Product Overview
(1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-8-chloro-3-methyl-4-phenyl-2-(phenylmethyl)-, methanesulfonate (CAS 70547-12-5), with molecular formula C26H26ClNO3S2 and molecular weight 499.10 g/mol. IUPAC: 2-benzyl-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-8-chloro-3-methyl-4-phenyl-2-(phenylmethyl)-, methanesulfonate
Property Insights of (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-8-chloro-3-methyl-4-phenyl-2-(phenylmethyl)-, methanesulfonate
The XLogP value of 6.5949 indicates that (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-8-chloro-3-methyl-4-phenyl-2-(phenylmethyl)-, 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-8-chloro-3-methyl-4-phenyl-2-(phenylmethyl)-, 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-8-chloro-3-methyl-4-phenyl-2-(phenylmethyl)-, 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-8-chloro-3-methyl-4-phenyl-2-(phenylmethyl)-, methanesulfonate?
The CAS number of (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-8-chloro-3-methyl-4-phenyl-2-(phenylmethyl)-, methanesulfonate is 70547-12-5.
What is the molecular formula of (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-8-chloro-3-methyl-4-phenyl-2-(phenylmethyl)-, methanesulfonate?
The molecular formula of (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-8-chloro-3-methyl-4-phenyl-2-(phenylmethyl)-, methanesulfonate is C26H26ClNO3S2.
What is the molecular weight of (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-8-chloro-3-methyl-4-phenyl-2-(phenylmethyl)-, methanesulfonate?
The molecular weight of (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-8-chloro-3-methyl-4-phenyl-2-(phenylmethyl)-, methanesulfonate is 499.10 g/mol.
Where can I buy (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-8-chloro-3-methyl-4-phenyl-2-(phenylmethyl)-, methanesulfonate?
You can request a quote for (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-8-chloro-3-methyl-4-phenyl-2-(phenylmethyl)-, 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-8-chloro-3-methyl-4-phenyl-2-(phenylmethyl)-, methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-8-chloro-3-methyl-4-phenyl-2-(phenylmethyl)-, methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.