3-Methyl-1-benzothien-7-yl methanesulfonate
TL;DR: 3-Methyl-1-benzothien-7-yl methanesulfonate (CAS 40863-15-8) is a chemical compound with molecular formula C10H10O3S2 and molecular weight 242.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-1-benzothiophen-7-yl) methanesulfonate
Also Known As: 3-methyl-1-benzothien-7-yl methanesulfonate, (3-methyl-1-benzothiophen-7-yl) methanesulfonate, Benzo[b]thiophene-7-ol, 3-methyl-, 7-methanesulfonate, AA-516/25012057, AA-516/33242059
| Molecular Formula | C10H10O3S2 |
|---|---|
| Molecular Weight | 242.01 g/mol |
| LogP | 2.54812 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.00714 |
| Heavy Atoms | 15 |
| Complexity | 596.1551 |
Chemical Identifiers
| CAS Number | 40863-15-8 |
|---|---|
| SMILES | CC1=CSC2=C1C=CC=C2OS(=O)(=O)C |
Product Overview
3-Methyl-1-benzothien-7-yl methanesulfonate (CAS 40863-15-8), with molecular formula C10H10O3S2 and molecular weight 242.01 g/mol. IUPAC: (3-methyl-1-benzothiophen-7-yl) methanesulfonate.
Chemical Property Profile of 3-Methyl-1-benzothien-7-yl methanesulfonate
Property Insights of 3-Methyl-1-benzothien-7-yl methanesulfonate
The XLogP value of 2.54812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-benzothien-7-yl methanesulfonate. With a topological polar surface area (TPSA) of 43.37 Ų, 3-Methyl-1-benzothien-7-yl methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-benzothien-7-yl methanesulfonate has 0 hydrogen bond donor(s) and 4 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 3-Methyl-1-benzothien-7-yl methanesulfonate?
The CAS number of 3-Methyl-1-benzothien-7-yl methanesulfonate is 40863-15-8.
What is the molecular formula of 3-Methyl-1-benzothien-7-yl methanesulfonate?
The molecular formula of 3-Methyl-1-benzothien-7-yl methanesulfonate is C10H10O3S2.
What is the molecular weight of 3-Methyl-1-benzothien-7-yl methanesulfonate?
The molecular weight of 3-Methyl-1-benzothien-7-yl methanesulfonate is 242.01 g/mol.
Where can I buy 3-Methyl-1-benzothien-7-yl methanesulfonate?
You can request a quote for 3-Methyl-1-benzothien-7-yl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-benzothien-7-yl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-benzothien-7-yl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.