BAS 00779017
TL;DR: BAS 00779017 (CAS 313381-30-5) is a chemical compound with molecular formula C23H19N3O4S2 and molecular weight 465.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00779017, methyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-methyl 2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, METHYL (2Z)-2-(1-ETHYL-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)-7-METHYL-3-OXO-5-(2-THIENYL)-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE, methyl (2Z)-2-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C23H19N3O4S2 |
|---|---|
| Molecular Weight | 465.08 g/mol |
| LogP | 2.2064 |
| Topological Polar Surface Area | 80.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 465.0817 |
| Heavy Atoms | 32 |
| Complexity | 1477.8877 |
Chemical Identifiers
| CAS Number | 313381-30-5 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2/C(=C/3\C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC)C5=CC=CS5)/C1=O |
Product Overview
BAS 00779017 (CAS 313381-30-5), with molecular formula C23H19N3O4S2 and molecular weight 465.08 g/mol. IUPAC: methyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00779017
Property Insights of BAS 00779017
The XLogP value of 2.2064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00779017. The TPSA of 80.97 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00779017. Following Lipinski's Rule of Five, BAS 00779017 has 0 hydrogen bond donor(s) and 7 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 00779017?
The CAS number of BAS 00779017 is 313381-30-5.
What is the molecular formula of BAS 00779017?
The molecular formula of BAS 00779017 is C23H19N3O4S2.
What is the molecular weight of BAS 00779017?
The molecular weight of BAS 00779017 is 465.08 g/mol.
Where can I buy BAS 00779017?
You can request a quote for BAS 00779017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00779017?
Yes, KEHONG BIO provides custom synthesis services for BAS 00779017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.