BAS 13558635
TL;DR: BAS 13558635 (CAS 878440-48-3) is a chemical compound with molecular formula C16H16N4OS2 and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-1H-indol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
Also Known As: BAS 13558635, 1-(2-methyl-1H-indol-3-yl)-2-{[5-(prop-2-en-1-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}ethanone, 1-(2-methylindol-3-yl)-2-[5-(prop-2-enylamino)(1,3,4-thiadiazol-2-ylthio)]etha n-1-one, 2-((5-(allylamino)-1,3,4-thiadiazol-2-yl)thio)-1-(2-methyl-1H-indol-3-yl)ethanone, 1-(2-METHYL-1H-INDOL-3-YL)-2-({5-[(PROP-2-EN-1-YL)AMINO]-1,3,4-THIADIAZOL-2-YL}SULFANYL)ETHAN-1-ONE
| Molecular Formula | C16H16N4OS2 |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 3.90072 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 344.07657 |
| Heavy Atoms | 23 |
| Complexity | 852.7625 |
Chemical Identifiers
| CAS Number | 878440-48-3 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NN=C(S3)NCC=C |
Product Overview
BAS 13558635 (CAS 878440-48-3), with molecular formula C16H16N4OS2 and molecular weight 344.08 g/mol. IUPAC: 1-(2-methyl-1H-indol-3-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone.
Chemical Property Profile of BAS 13558635
Property Insights of BAS 13558635
The XLogP value of 3.90072 indicates that BAS 13558635 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13558635. Following Lipinski's Rule of Five, BAS 13558635 has 2 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 13558635?
The CAS number of BAS 13558635 is 878440-48-3.
What is the molecular formula of BAS 13558635?
The molecular formula of BAS 13558635 is C16H16N4OS2.
What is the molecular weight of BAS 13558635?
The molecular weight of BAS 13558635 is 344.08 g/mol.
Where can I buy BAS 13558635?
You can request a quote for BAS 13558635 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13558635?
Yes, KEHONG BIO provides custom synthesis services for BAS 13558635 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.