ChemDiv1_010022
TL;DR: ChemDiv1_010022 (CAS 306982-58-1) is a chemical compound with molecular formula C28H27N3O4S and molecular weight 501.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[(1-methylindol-3-yl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ChemDiv1_010022, (Z)-isopropyl 5-(4-methoxyphenyl)-7-methyl-2-((1-methyl-1H-indol-3-yl)methylene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, propan-2-yl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, propan-2-yl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[(1-methylindol-3-yl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C28H27N3O4S |
|---|---|
| Molecular Weight | 501.17 g/mol |
| LogP | 3.6871 |
| Topological Polar Surface Area | 74.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.17224 |
| Heavy Atoms | 36 |
| Complexity | 1687.1885 |
Chemical Identifiers
| CAS Number | 306982-58-1 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)C)/SC2=N1)C5=CC=C(C=C5)OC)C(=O)OC(C)C |
Product Overview
ChemDiv1_010022 (CAS 306982-58-1), with molecular formula C28H27N3O4S and molecular weight 501.17 g/mol. IUPAC: propan-2-yl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[(1-methylindol-3-yl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ChemDiv1_010022
Property Insights of ChemDiv1_010022
The XLogP value of 3.6871 indicates that ChemDiv1_010022 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010022. Following Lipinski's Rule of Five, ChemDiv1_010022 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_010022?
The CAS number of ChemDiv1_010022 is 306982-58-1.
What is the molecular formula of ChemDiv1_010022?
The molecular formula of ChemDiv1_010022 is C28H27N3O4S.
What is the molecular weight of ChemDiv1_010022?
The molecular weight of ChemDiv1_010022 is 501.17 g/mol.
Where can I buy ChemDiv1_010022?
You can request a quote for ChemDiv1_010022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010022?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.