BAS 09812421
TL;DR: BAS 09812421 (CAS 847470-00-2) is a chemical compound with molecular formula C17H19N5O3S3 and molecular weight 437.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
Also Known As: BAS 09812421, BRD-K96444498-001-01-7, N-(5-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide, N-(tert-butyl)-2-((5-(2-(2-oxobenzo[d]thiazol-3(2H)-yl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide, N-[(2Z)-5-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2(3H)-ylidene]-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide
| Molecular Formula | C17H19N5O3S3 |
|---|---|
| Molecular Weight | 437.06 g/mol |
| LogP | 2.56 |
| Topological Polar Surface Area | 105.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.065 |
| Heavy Atoms | 28 |
| Complexity | 1063.8528 |
Chemical Identifiers
| CAS Number | 847470-00-2 |
|---|---|
| SMILES | CC(C)(C)NC(=O)CSC1=NN=C(S1)NC(=O)CN2C3=CC=CC=C3SC2=O |
Product Overview
BAS 09812421 (CAS 847470-00-2), with molecular formula C17H19N5O3S3 and molecular weight 437.06 g/mol. IUPAC: N-[5-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.
Chemical Property Profile of BAS 09812421
Property Insights of BAS 09812421
The XLogP value of 2.56 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 09812421. The TPSA of 105.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09812421. Following Lipinski's Rule of Five, BAS 09812421 has 2 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 BAS 09812421?
The CAS number of BAS 09812421 is 847470-00-2.
What is the molecular formula of BAS 09812421?
The molecular formula of BAS 09812421 is C17H19N5O3S3.
What is the molecular weight of BAS 09812421?
The molecular weight of BAS 09812421 is 437.06 g/mol.
Where can I buy BAS 09812421?
You can request a quote for BAS 09812421 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09812421?
Yes, KEHONG BIO provides custom synthesis services for BAS 09812421 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.