ChemDiv1_001262
TL;DR: ChemDiv1_001262 (CAS 5673-99-4) is a chemical compound with molecular formula C27H27N3O9S and molecular weight 569.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ChemDiv1_001262, 2,3-dimethyl-pent-4-en-1-ol, UPCMLD0ENAT0507-6161:001, ethyl 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL (8Z)-8-[(4,5-DIMETHOXY-2-NITRO-PHENYL)METHYLIDENE]-2-(3,4-DIMETHOXYPHENYL)-4-METHYL-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE
| Molecular Formula | C27H27N3O9S |
|---|---|
| Molecular Weight | 569.15 g/mol |
| LogP | 2.7409 |
| Topological Polar Surface Area | 140.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 569.1468 |
| Heavy Atoms | 40 |
| Complexity | 1704.8749 |
Chemical Identifiers
| CAS Number | 5673-99-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)C(=CC4=CC(=C(C=C4[N+](=O)[O-])OC)OC)S2)C |
Product Overview
ChemDiv1_001262 (CAS 5673-99-4), with molecular formula C27H27N3O9S and molecular weight 569.15 g/mol. IUPAC: ethyl 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ChemDiv1_001262
Property Insights of ChemDiv1_001262
The XLogP value of 2.7409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_001262. The TPSA of 140.72 Ų indicates high polarity, suggesting ChemDiv1_001262 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_001262 has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_001262?
The CAS number of ChemDiv1_001262 is 5673-99-4.
What is the molecular formula of ChemDiv1_001262?
The molecular formula of ChemDiv1_001262 is C27H27N3O9S.
What is the molecular weight of ChemDiv1_001262?
The molecular weight of ChemDiv1_001262 is 569.15 g/mol.
Where can I buy ChemDiv1_001262?
You can request a quote for ChemDiv1_001262 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001262?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001262 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.