BAS 09976305
TL;DR: BAS 09976305 (CAS 861636-01-3) is a chemical compound with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-acetyl-5'-methoxy-2'-oxo-1'-(2-phenylethyl)spiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide
Also Known As: BAS 09976305, N-[3'-acetyl-5-methoxy-2-oxo-1-(2-phenylethyl)-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl]acetamide, N-(3'-acetyl-5-methoxy-2-oxo-1-phenethyl-3'H-spiro[indoline-3,2'-[1,3,4]thiadiazol]-5'-yl)acetamide, N-(4-acetyl-5'-methoxy-2'-oxo-1'-phenethylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
| Molecular Formula | C22H22N4O4S |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 2.4397 |
| Topological Polar Surface Area | 91.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.13617 |
| Heavy Atoms | 31 |
| Complexity | 1088.1735 |
Chemical Identifiers
| CAS Number | 861636-01-3 |
|---|---|
| SMILES | CC(=O)NC1=NN(C2(S1)C3=C(C=CC(=C3)OC)N(C2=O)CCC4=CC=CC=C4)C(=O)C |
Product Overview
BAS 09976305 (CAS 861636-01-3), with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol. IUPAC: N-[4-acetyl-5'-methoxy-2'-oxo-1'-(2-phenylethyl)spiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide.
Chemical Property Profile of BAS 09976305
Property Insights of BAS 09976305
The XLogP value of 2.4397 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 09976305. The TPSA of 91.31 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09976305. Following Lipinski's Rule of Five, BAS 09976305 has 1 hydrogen bond donor(s) and 6 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 09976305?
The CAS number of BAS 09976305 is 861636-01-3.
What is the molecular formula of BAS 09976305?
The molecular formula of BAS 09976305 is C22H22N4O4S.
What is the molecular weight of BAS 09976305?
The molecular weight of BAS 09976305 is 438.14 g/mol.
Where can I buy BAS 09976305?
You can request a quote for BAS 09976305 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09976305?
Yes, KEHONG BIO provides custom synthesis services for BAS 09976305 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.