N-Benzothiazol-2-yl-succinamic acid
TL;DR: N-Benzothiazol-2-yl-succinamic acid (CAS 79888-43-0) is a chemical compound with molecular formula C11H10N2O3S and molecular weight 250.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoic acid
Also Known As: N-Benzothiazol-2-yl-succinamic acid, KSC-09-229B, 4-(benzo[d]thiazol-2-ylamino)-4-oxobutanoic acid, 3-[(1,3-benzothiazol-2-yl)carbamoyl]propanoic acid, 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoic acid
| Molecular Formula | C11H10N2O3S |
|---|---|
| Molecular Weight | 250.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.04121 |
| Heavy Atoms | 17 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 79888-43-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(=O)CCC(=O)O |
| InChIKey | WOKXXZWQHBQFEA-UHFFFAOYSA-N |
Product Overview
N-Benzothiazol-2-yl-succinamic acid (CAS 79888-43-0), with molecular formula C11H10N2O3S and molecular weight 250.04 g/mol. IUPAC: 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoic acid.
Chemical Property Profile of N-Benzothiazol-2-yl-succinamic acid
Property Insights of N-Benzothiazol-2-yl-succinamic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzothiazol-2-yl-succinamic acid. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzothiazol-2-yl-succinamic acid. Following Lipinski's Rule of Five, N-Benzothiazol-2-yl-succinamic acid has 2 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 N-Benzothiazol-2-yl-succinamic acid?
The CAS number of N-Benzothiazol-2-yl-succinamic acid is 79888-43-0.
What is the molecular formula of N-Benzothiazol-2-yl-succinamic acid?
The molecular formula of N-Benzothiazol-2-yl-succinamic acid is C11H10N2O3S.
What is the molecular weight of N-Benzothiazol-2-yl-succinamic acid?
The molecular weight of N-Benzothiazol-2-yl-succinamic acid is 250.04 g/mol.
Where can I buy N-Benzothiazol-2-yl-succinamic acid?
You can request a quote for N-Benzothiazol-2-yl-succinamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzothiazol-2-yl-succinamic acid?
Yes, KEHONG BIO provides custom synthesis services for N-Benzothiazol-2-yl-succinamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.