5-C-(1,3-benzothiazol-2-yl)pentonic acid
TL;DR: 5-C-(1,3-benzothiazol-2-yl)pentonic acid (CAS 6641-94-7) is a chemical compound with molecular formula C12H13NO6S and molecular weight 299.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzothiazol-2-yl)-2,3,4,5-tetrahydroxypentanoic acid
Also Known As: NCI60_004081, 5-C-(1,3-benzothiazol-2-yl)pentonic acid, 5-(1,3-benzothiazol-2-yl)-2,3,4,5-tetrahydroxypentanoic acid, sodium;5-(1,3-benzothiazol-2-yl)-2,3,4,5-tetrahydroxypentanoic acid
| Molecular Formula | C12H13NO6S |
|---|---|
| Molecular Weight | 299.05 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.04636 |
| Heavy Atoms | 20 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 6641-94-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C(C(C(C(C(=O)O)O)O)O)O |
| InChIKey | IHLGCRTYBDAHIA-UHFFFAOYSA-N |
Product Overview
5-C-(1,3-benzothiazol-2-yl)pentonic acid (CAS 6641-94-7), with molecular formula C12H13NO6S and molecular weight 299.05 g/mol. IUPAC: 5-(1,3-benzothiazol-2-yl)-2,3,4,5-tetrahydroxypentanoic acid.
Chemical Property Profile of 5-C-(1,3-benzothiazol-2-yl)pentonic acid
Property Insights of 5-C-(1,3-benzothiazol-2-yl)pentonic acid
The XLogP value of -0.7 indicates that 5-C-(1,3-benzothiazol-2-yl)pentonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.0 Ų indicates high polarity, suggesting 5-C-(1,3-benzothiazol-2-yl)pentonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-C-(1,3-benzothiazol-2-yl)pentonic acid has 5 hydrogen bond donor(s) and 8 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 5-C-(1,3-benzothiazol-2-yl)pentonic acid?
The CAS number of 5-C-(1,3-benzothiazol-2-yl)pentonic acid is 6641-94-7.
What is the molecular formula of 5-C-(1,3-benzothiazol-2-yl)pentonic acid?
The molecular formula of 5-C-(1,3-benzothiazol-2-yl)pentonic acid is C12H13NO6S.
What is the molecular weight of 5-C-(1,3-benzothiazol-2-yl)pentonic acid?
The molecular weight of 5-C-(1,3-benzothiazol-2-yl)pentonic acid is 299.05 g/mol.
Where can I buy 5-C-(1,3-benzothiazol-2-yl)pentonic acid?
You can request a quote for 5-C-(1,3-benzothiazol-2-yl)pentonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-C-(1,3-benzothiazol-2-yl)pentonic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-C-(1,3-benzothiazol-2-yl)pentonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.