BAS 07100838
TL;DR: BAS 07100838 (CAS 585560-52-7) is a chemical compound with molecular formula C18H22N4O3S and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetyl-5'-ethyl-2'-oxo-1'-propan-2-ylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
Also Known As: BAS 07100838, AO-022/43454767, N-(4-acetyl-5'-ethyl-2'-oxo-1'-propan-2-ylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide, N-[3'-acetyl-5-ethyl-2-oxo-1-(propan-2-yl)-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl]acetamide, N-(3'-acetyl-5-ethyl-1-isopropyl-2-oxo-3'H-spiro[indoline-3,2'-[1,3,4]thiadiazol]-5'-yl)acetamide
| Molecular Formula | C18H22N4O3S |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 2.1592 |
| Topological Polar Surface Area | 82.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.14127 |
| Heavy Atoms | 26 |
| Complexity | 835.72516 |
Chemical Identifiers
| CAS Number | 585560-52-7 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)N(C(=O)C23N(N=C(S3)NC(=O)C)C(=O)C)C(C)C |
Product Overview
BAS 07100838 (CAS 585560-52-7), with molecular formula C18H22N4O3S and molecular weight 374.14 g/mol. IUPAC: N-(4-acetyl-5'-ethyl-2'-oxo-1'-propan-2-ylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide.
Chemical Property Profile of BAS 07100838
Property Insights of BAS 07100838
The XLogP value of 2.1592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07100838. The TPSA of 82.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07100838. Following Lipinski's Rule of Five, BAS 07100838 has 1 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 BAS 07100838?
The CAS number of BAS 07100838 is 585560-52-7.
What is the molecular formula of BAS 07100838?
The molecular formula of BAS 07100838 is C18H22N4O3S.
What is the molecular weight of BAS 07100838?
The molecular weight of BAS 07100838 is 374.14 g/mol.
Where can I buy BAS 07100838?
You can request a quote for BAS 07100838 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07100838?
Yes, KEHONG BIO provides custom synthesis services for BAS 07100838 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.