BAS 00781042
TL;DR: BAS 00781042 (CAS 324567-97-7) is a chemical compound with molecular formula C28H29N3O5S and molecular weight 519.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-5-(4-acetyloxyphenyl)-2-[[4-(diethylamino)phenyl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00781042, methyl (2E)-5-(4-acetyloxyphenyl)-2-[[4-(diethylamino)phenyl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (E)-methyl 5-(4-acetoxyphenyl)-2-(4-(diethylamino)benzylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, 4-(2-{[4-(diethylamino)phenyl]methylene}-6-(methoxycarbonyl)-7-methyl-3-oxo-4, 5-dihydro-1,3-thiazolidino[3,2-a]pyrimidin-5-yl)phenyl acetate, methyl 5-[4-(acetyloxy)phenyl]-2-[4-(diethylamino)benzylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C28H29N3O5S |
|---|---|
| Molecular Weight | 519.18 g/mol |
| LogP | 3.1797 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 519.1828 |
| Heavy Atoms | 37 |
| Complexity | 1528.3082 |
Chemical Identifiers
| CAS Number | 324567-97-7 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=C/2\C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC)C4=CC=C(C=C4)OC(=O)C |
Product Overview
BAS 00781042 (CAS 324567-97-7), with molecular formula C28H29N3O5S and molecular weight 519.18 g/mol. IUPAC: methyl (2E)-5-(4-acetyloxyphenyl)-2-[[4-(diethylamino)phenyl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00781042
Property Insights of BAS 00781042
The XLogP value of 3.1797 indicates that BAS 00781042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00781042. Following Lipinski's Rule of Five, BAS 00781042 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 00781042?
The CAS number of BAS 00781042 is 324567-97-7.
What is the molecular formula of BAS 00781042?
The molecular formula of BAS 00781042 is C28H29N3O5S.
What is the molecular weight of BAS 00781042?
The molecular weight of BAS 00781042 is 519.18 g/mol.
Where can I buy BAS 00781042?
You can request a quote for BAS 00781042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00781042?
Yes, KEHONG BIO provides custom synthesis services for BAS 00781042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.