BAS 00436814
TL;DR: BAS 00436814 (CAS 313066-98-7) is a chemical compound with molecular formula C34H35N3O5S and molecular weight 597.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00436814, ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-[4-(benzyloxy)-3-ethoxybenzylidene]-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 2-(4-(benzyloxy)-3-ethoxybenzylidene)-5-(4-(dimethylamino)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-2-[4-(benzyloxy)-3-ethoxybenzylidene]-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C34H35N3O5S |
|---|---|
| Molecular Weight | 597.23 g/mol |
| LogP | 4.842 |
| Topological Polar Surface Area | 82.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 597.22974 |
| Heavy Atoms | 43 |
| Complexity | 1822.47 |
Chemical Identifiers
| CAS Number | 313066-98-7 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)N(C)C)OCC5=CC=CC=C5 |
Product Overview
BAS 00436814 (CAS 313066-98-7), with molecular formula C34H35N3O5S and molecular weight 597.23 g/mol. IUPAC: ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00436814
Property Insights of BAS 00436814
The XLogP value of 4.842 indicates that BAS 00436814 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00436814. Following Lipinski's Rule of Five, BAS 00436814 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00436814?
The CAS number of BAS 00436814 is 313066-98-7.
What is the molecular formula of BAS 00436814?
The molecular formula of BAS 00436814 is C34H35N3O5S.
What is the molecular weight of BAS 00436814?
The molecular weight of BAS 00436814 is 597.23 g/mol.
Where can I buy BAS 00436814?
You can request a quote for BAS 00436814 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00436814?
Yes, KEHONG BIO provides custom synthesis services for BAS 00436814 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.