BAS 07100846
TL;DR: BAS 07100846 (CAS 696631-27-3) is a chemical compound with molecular formula C14H13FN4O3S and molecular weight 336.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetyl-5'-fluoro-1'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
Also Known As: BAS 07100846, AB01292170-01, A3447/0146394, N-(3'-acetyl-5-fluoro-1-methyl-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl)acetamide, N-(3'-acetyl-5-fluoro-1-methyl-2-oxo-3'H-spiro[indoline-3,2'-[1,3,4]thiadiazol]-5'-yl)acetamide
| Molecular Formula | C14H13FN4O3S |
|---|---|
| Molecular Weight | 336.07 g/mol |
| LogP | 0.9573 |
| Topological Polar Surface Area | 82.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 336.06924 |
| Heavy Atoms | 23 |
| Complexity | 781.28595 |
Chemical Identifiers
| CAS Number | 696631-27-3 |
|---|---|
| SMILES | CC(=O)NC1=NN(C2(S1)C3=C(C=CC(=C3)F)N(C2=O)C)C(=O)C |
Product Overview
BAS 07100846 (CAS 696631-27-3), with molecular formula C14H13FN4O3S and molecular weight 336.07 g/mol. IUPAC: N-(4-acetyl-5'-fluoro-1'-methyl-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide.
Chemical Property Profile of BAS 07100846
Property Insights of BAS 07100846
The XLogP value of 0.9573 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07100846. The TPSA of 82.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07100846. Following Lipinski's Rule of Five, BAS 07100846 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 07100846?
The CAS number of BAS 07100846 is 696631-27-3.
What is the molecular formula of BAS 07100846?
The molecular formula of BAS 07100846 is C14H13FN4O3S.
What is the molecular weight of BAS 07100846?
The molecular weight of BAS 07100846 is 336.07 g/mol.
Where can I buy BAS 07100846?
You can request a quote for BAS 07100846 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07100846?
Yes, KEHONG BIO provides custom synthesis services for BAS 07100846 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.