BAS 00015509
TL;DR: BAS 00015509 (CAS 64288-87-5) is a chemical compound with molecular formula C13H13NO2S and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methyl-1,3-benzothiazol-2-ylidene)pentane-2,4-dione
Also Known As: BAS 00015509, 1H-Pyrrole-3-carbonitrile,2,5-dimethyl-1-phenyl, 3-(3-methyl-1,3-benzothiazol-2-ylidene)pentane-2,4-dione, 3-(3-Methyl-3H-benzothiazol-2-ylidene)-pentane-2,4-dione, 3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)pentane-2,4-dione
| Molecular Formula | C13H13NO2S |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.0667 |
| Heavy Atoms | 17 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 64288-87-5 |
|---|---|
| SMILES | CC(=O)C(=C1N(C2=CC=CC=C2S1)C)C(=O)C |
| InChIKey | YOVIMCRIWSEEKH-UHFFFAOYSA-N |
Product Overview
BAS 00015509 (CAS 64288-87-5), with molecular formula C13H13NO2S and molecular weight 247.07 g/mol. IUPAC: 3-(3-methyl-1,3-benzothiazol-2-ylidene)pentane-2,4-dione.
Chemical Property Profile of BAS 00015509
Property Insights of BAS 00015509
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00015509. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00015509. Following Lipinski's Rule of Five, BAS 00015509 has 0 hydrogen bond donor(s) and 4 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 00015509?
The CAS number of BAS 00015509 is 64288-87-5.
What is the molecular formula of BAS 00015509?
The molecular formula of BAS 00015509 is C13H13NO2S.
What is the molecular weight of BAS 00015509?
The molecular weight of BAS 00015509 is 247.07 g/mol.
Where can I buy BAS 00015509?
You can request a quote for BAS 00015509 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00015509?
Yes, KEHONG BIO provides custom synthesis services for BAS 00015509 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.