RefChem:104245
TL;DR: RefChem:104245 (CAS 65072-34-6) is a chemical compound with molecular formula C14H21N3O5S and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1,3-benzothiazole-6-carboxylic acid;2-[bis(2-hydroxyethyl)amino]ethanol
Also Known As: 2-amino-1,3-benzothiazole-6-carboxylic acid- 2,2',2''-nitrilotriethanol(1:1), 6-Benzothiazolecarboxylic acid, 2-amino-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1), 6-Benzothiazolecarboxylic acid, 2-amino-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1), 2-Amino-1,3-benzothiazole-6-carboxylic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1), 2-amino-1,3-benzothiazole-6-carboxylic acid; 2-[bis(2-hydroxyethyl)amino]ethanol
| Molecular Formula | C14H21N3O5S |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | -0.16 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 343.12018 |
| Heavy Atoms | 23 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 65072-34-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)O)SC(=N2)N.C(CO)N(CCO)CCO |
| InChIKey | DUFMBGFKYCDZQM-UHFFFAOYSA-N |
Product Overview
RefChem:104245 (CAS 65072-34-6), with molecular formula C14H21N3O5S and molecular weight 343.12 g/mol. IUPAC: 2-amino-1,3-benzothiazole-6-carboxylic acid;2-[bis(2-hydroxyethyl)amino]ethanol.
Chemical Property Profile of RefChem:104245
Property Insights of RefChem:104245
The XLogP value of -0.16 indicates that RefChem:104245 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 168.0 Ų indicates high polarity, suggesting RefChem:104245 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:104245 has 5 hydrogen bond donor(s) and 9 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 RefChem:104245?
The CAS number of RefChem:104245 is 65072-34-6.
What is the molecular formula of RefChem:104245?
The molecular formula of RefChem:104245 is C14H21N3O5S.
What is the molecular weight of RefChem:104245?
The molecular weight of RefChem:104245 is 343.12 g/mol.
Where can I buy RefChem:104245?
You can request a quote for RefChem:104245 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:104245?
Yes, KEHONG BIO provides custom synthesis services for RefChem:104245 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.