beta-Ethyl-beta-methyl-2-benzothiazolebutanoic acid
TL;DR: beta-Ethyl-beta-methyl-2-benzothiazolebutanoic acid (CAS 855991-49-0) is a chemical compound with molecular formula C14H17NO2S and molecular weight 263.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-ylmethyl)-3-methylpentanoic acid
Also Known As: 3-(1,3-benzothiazol-2-ylmethyl)-3-methylpentanoic acid, 3-[(1,3-benzothiazol-2-yl)methyl]-3-methylpentanoic acid, beta-Ethyl-beta-methyl-2-benzothiazolebutanoic acid, 3-(benzothiazol-2-ylmethyl)-3-methyl-pentanoic Acid, I(2)-Ethyl-I(2)-methyl-2-benzothiazolebutanoic acid
| Molecular Formula | C14H17NO2S |
|---|---|
| Molecular Weight | 263.10 g/mol |
| LogP | 3.7298 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.098 |
| Heavy Atoms | 18 |
| Complexity | 530.67426 |
Chemical Identifiers
| CAS Number | 855991-49-0 |
|---|---|
| SMILES | CCC(C)(CC1=NC2=CC=CC=C2S1)CC(=O)O |
Product Overview
beta-Ethyl-beta-methyl-2-benzothiazolebutanoic acid (CAS 855991-49-0), with molecular formula C14H17NO2S and molecular weight 263.10 g/mol. IUPAC: 3-(1,3-benzothiazol-2-ylmethyl)-3-methylpentanoic acid.
Chemical Property Profile of beta-Ethyl-beta-methyl-2-benzothiazolebutanoic acid
Property Insights of beta-Ethyl-beta-methyl-2-benzothiazolebutanoic acid
The XLogP value of 3.7298 indicates that beta-Ethyl-beta-methyl-2-benzothiazolebutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.19 Ų, beta-Ethyl-beta-methyl-2-benzothiazolebutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Ethyl-beta-methyl-2-benzothiazolebutanoic acid has 1 hydrogen bond donor(s) and 3 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 beta-Ethyl-beta-methyl-2-benzothiazolebutanoic acid?
The CAS number of beta-Ethyl-beta-methyl-2-benzothiazolebutanoic acid is 855991-49-0.
What is the molecular formula of beta-Ethyl-beta-methyl-2-benzothiazolebutanoic acid?
The molecular formula of beta-Ethyl-beta-methyl-2-benzothiazolebutanoic acid is C14H17NO2S.
What is the molecular weight of beta-Ethyl-beta-methyl-2-benzothiazolebutanoic acid?
The molecular weight of beta-Ethyl-beta-methyl-2-benzothiazolebutanoic acid is 263.10 g/mol.
Where can I buy beta-Ethyl-beta-methyl-2-benzothiazolebutanoic acid?
You can request a quote for beta-Ethyl-beta-methyl-2-benzothiazolebutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Ethyl-beta-methyl-2-benzothiazolebutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for beta-Ethyl-beta-methyl-2-benzothiazolebutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.