BAS 04085553
TL;DR: BAS 04085553 (CAS 433948-77-7) is a chemical compound with molecular formula C15H15N3OS2 and molecular weight 317.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dimethylindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
Also Known As: BAS 04085553, AJ-292/41080026, 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone, 1-(2,3-dimethyl-1H-indol-1-yl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethanone, 1-(2,3-dimethylindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
| Molecular Formula | C15H15N3OS2 |
|---|---|
| Molecular Weight | 317.07 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.06564 |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 433948-77-7 |
|---|---|
| SMILES | CC1=C(N(C2=CC=CC=C12)C(=O)CSC3=NN=C(S3)C)C |
| InChIKey | ZLELOAZHKZXXOC-UHFFFAOYSA-N |
Product Overview
BAS 04085553 (CAS 433948-77-7), with molecular formula C15H15N3OS2 and molecular weight 317.07 g/mol. IUPAC: 1-(2,3-dimethylindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of BAS 04085553
Property Insights of BAS 04085553
The XLogP value of 4.1 indicates that BAS 04085553 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04085553. Following Lipinski's Rule of Five, BAS 04085553 has 0 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 04085553?
The CAS number of BAS 04085553 is 433948-77-7.
What is the molecular formula of BAS 04085553?
The molecular formula of BAS 04085553 is C15H15N3OS2.
What is the molecular weight of BAS 04085553?
The molecular weight of BAS 04085553 is 317.07 g/mol.
Where can I buy BAS 04085553?
You can request a quote for BAS 04085553 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04085553?
Yes, KEHONG BIO provides custom synthesis services for BAS 04085553 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.