BAS 00756131
TL;DR: BAS 00756131 (CAS 313400-95-2) is a chemical compound with molecular formula C26H25BrN2O7S and molecular weight 588.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00756131, BIM-0026864.P001, AH-487/11603022, ETHYL (2Z)-2-[(3-BROMO-4-HYDROXY-5-METHOXYPHENYL)METHYLIDENE]-5-(3,4-DIMETHOXYPHENYL)-7-METHYL-3-OXO-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE, ethyl (2Z)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C26H25BrN2O7S |
|---|---|
| Molecular Weight | 588.06 g/mol |
| LogP | 3.2922 |
| Topological Polar Surface Area | 108.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 588.0566 |
| Heavy Atoms | 37 |
| Complexity | 1589.3048 |
Chemical Identifiers
| CAS Number | 313400-95-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)/C(=C/C4=CC(=C(C(=C4)Br)O)OC)/S2)C |
Product Overview
BAS 00756131 (CAS 313400-95-2), with molecular formula C26H25BrN2O7S and molecular weight 588.06 g/mol. IUPAC: ethyl (2Z)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00756131
Property Insights of BAS 00756131
The XLogP value of 3.2922 indicates that BAS 00756131 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.58 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00756131. Following Lipinski's Rule of Five, BAS 00756131 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00756131?
The CAS number of BAS 00756131 is 313400-95-2.
What is the molecular formula of BAS 00756131?
The molecular formula of BAS 00756131 is C26H25BrN2O7S.
What is the molecular weight of BAS 00756131?
The molecular weight of BAS 00756131 is 588.06 g/mol.
Where can I buy BAS 00756131?
You can request a quote for BAS 00756131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00756131?
Yes, KEHONG BIO provides custom synthesis services for BAS 00756131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.