BAS 00778498
TL;DR: BAS 00778498 (CAS 324071-35-4) is a chemical compound with molecular formula C22H21N3O3S2 and molecular weight 439.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00778498, AB00099231-01, methyl 2-[4-(dimethylamino)benzylidene]-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-methyl 2-(4-(dimethylamino)benzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl (2E)-2-{[4-(dimethylamino)phenyl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C22H21N3O3S2 |
|---|---|
| Molecular Weight | 439.10 g/mol |
| LogP | 2.5357 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.10245 |
| Heavy Atoms | 30 |
| Complexity | 1297.0826 |
Chemical Identifiers
| CAS Number | 324071-35-4 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C/C3=CC=C(C=C3)N(C)C)/SC2=N1)C4=CC=CS4)C(=O)OC |
Product Overview
BAS 00778498 (CAS 324071-35-4), with molecular formula C22H21N3O3S2 and molecular weight 439.10 g/mol. IUPAC: methyl (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00778498
Property Insights of BAS 00778498
The XLogP value of 2.5357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00778498. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00778498. Following Lipinski's Rule of Five, BAS 00778498 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00778498?
The CAS number of BAS 00778498 is 324071-35-4.
What is the molecular formula of BAS 00778498?
The molecular formula of BAS 00778498 is C22H21N3O3S2.
What is the molecular weight of BAS 00778498?
The molecular weight of BAS 00778498 is 439.10 g/mol.
Where can I buy BAS 00778498?
You can request a quote for BAS 00778498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00778498?
Yes, KEHONG BIO provides custom synthesis services for BAS 00778498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.