BAS 00781051
TL;DR: BAS 00781051 (CAS 328264-57-9) is a chemical compound with molecular formula C29H33N3O5S and molecular weight 535.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-[[4-(diethylamino)phenyl]methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00781051, ethyl (2E)-2-[4-(diethylamino)benzylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Ethyl 2-(4-(diethylamino)benzylidene)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, 632-171-8, Ethyl (2E)-2-(4-(diethylamino)benzylidene)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate
| Molecular Formula | C29H33N3O5S |
|---|---|
| Molecular Weight | 535.21 g/mol |
| LogP | 3.6617 |
| Topological Polar Surface Area | 82.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 535.2141 |
| Heavy Atoms | 38 |
| Complexity | 1531.5702 |
Chemical Identifiers
| CAS Number | 328264-57-9 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=C/2\C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC(=C(C=C4)OC)OC |
Product Overview
BAS 00781051 (CAS 328264-57-9), with molecular formula C29H33N3O5S and molecular weight 535.21 g/mol. IUPAC: ethyl (2E)-2-[[4-(diethylamino)phenyl]methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00781051
Property Insights of BAS 00781051
The XLogP value of 3.6617 indicates that BAS 00781051 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 00781051. Following Lipinski's Rule of Five, BAS 00781051 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 00781051?
The CAS number of BAS 00781051 is 328264-57-9.
What is the molecular formula of BAS 00781051?
The molecular formula of BAS 00781051 is C29H33N3O5S.
What is the molecular weight of BAS 00781051?
The molecular weight of BAS 00781051 is 535.21 g/mol.
Where can I buy BAS 00781051?
You can request a quote for BAS 00781051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00781051?
Yes, KEHONG BIO provides custom synthesis services for BAS 00781051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.