![(2S)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid structure](/static/products/951/95154-01-1.png)
(2S)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid
TL;DR: (2S)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid (CAS 95154-01-1) is a chemical compound with molecular formula C11H11NO4S2 and molecular weight 285.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid
Also Known As: 2-(1,3-benzothiazol-2-ylthio)succinic acid, (2R)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid
| Molecular Formula | C11H11NO4S2 |
|---|---|
| Molecular Weight | 285.01 g/mol |
| LogP | 2.0605 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.01294 |
| Heavy Atoms | 18 |
| Complexity | 505.81662 |
Chemical Identifiers
| CAS Number | 95154-01-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1[C@H](CC(=O)O)C(=O)O)N[C@@H](S2)S |
Product Overview
(2S)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid (CAS 95154-01-1), with molecular formula C11H11NO4S2 and molecular weight 285.01 g/mol. IUPAC: (2S)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid.
Chemical Property Profile of (2S)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid
Property Insights of (2S)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid
The XLogP value of 2.0605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid. Following Lipinski's Rule of Five, (2S)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid has 4 hydrogen bond donor(s) and 5 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 (2S)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid?
The CAS number of (2S)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid is 95154-01-1.
What is the molecular formula of (2S)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid?
The molecular formula of (2S)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid is C11H11NO4S2.
What is the molecular weight of (2S)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid?
The molecular weight of (2S)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid is 285.01 g/mol.
Where can I buy (2S)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid?
You can request a quote for (2S)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.