BAS 00780958
TL;DR: BAS 00780958 (CAS 324567-93-3) is a chemical compound with molecular formula C27H21N3O7S and molecular weight 531.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-(1-acetyl-2-oxoindol-3-ylidene)-5-(4-acetyloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00780958, methyl (2Z)-2-(1-acetyl-2-oxoindol-3-ylidene)-5-(4-acetyloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl (2Z)-2-(1-acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-5-[4-(acetyloxy)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-methyl 5-(4-acetoxyphenyl)-2-(1-acetyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, 4-[2-(1-acetyl-2-oxobenzo[d]azolin-3-ylidene)-6-(methoxycarbonyl)-7-methyl-3-o xo-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidin-5-yl]phenyl acetate
| Molecular Formula | C27H21N3O7S |
|---|---|
| Molecular Weight | 531.11 g/mol |
| LogP | 1.5968 |
| Topological Polar Surface Area | 124.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 531.11005 |
| Heavy Atoms | 38 |
| Complexity | 1762.7517 |
Chemical Identifiers
| CAS Number | 324567-93-3 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)C(=O)C)/SC2=N1)C5=CC=C(C=C5)OC(=O)C)C(=O)OC |
Product Overview
BAS 00780958 (CAS 324567-93-3), with molecular formula C27H21N3O7S and molecular weight 531.11 g/mol. IUPAC: methyl (2Z)-2-(1-acetyl-2-oxoindol-3-ylidene)-5-(4-acetyloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00780958
Property Insights of BAS 00780958
The XLogP value of 1.5968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00780958. The TPSA of 124.34 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00780958. Following Lipinski's Rule of Five, BAS 00780958 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00780958?
The CAS number of BAS 00780958 is 324567-93-3.
What is the molecular formula of BAS 00780958?
The molecular formula of BAS 00780958 is C27H21N3O7S.
What is the molecular weight of BAS 00780958?
The molecular weight of BAS 00780958 is 531.11 g/mol.
Where can I buy BAS 00780958?
You can request a quote for BAS 00780958 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00780958?
Yes, KEHONG BIO provides custom synthesis services for BAS 00780958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.