A1911/0080354
TL;DR: A1911/0080354 (CAS 312504-15-7) 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 (2E)-2-[(2-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: A1911/0080354, ethyl 2-(2-bromo-4-hydroxy-5-methoxybenzylidene)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2E)-2-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL 2-[(E)-1-(2-BROMO-4-HYDROXY-5-METHOXYPHENYL)METHYLIDENE]-5-(3,4-DIMETHOXYPHENYL)-7-METHYL-3-OXO-2,3-DIHYDRO-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 | 312504-15-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)/C(=C\C4=CC(=C(C=C4Br)O)OC)/S2)C |
Product Overview
A1911/0080354 (CAS 312504-15-7), with molecular formula C26H25BrN2O7S and molecular weight 588.06 g/mol. IUPAC: ethyl (2E)-2-[(2-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 A1911/0080354
Property Insights of A1911/0080354
The XLogP value of 3.2922 indicates that A1911/0080354 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 A1911/0080354. Following Lipinski's Rule of Five, A1911/0080354 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 A1911/0080354?
The CAS number of A1911/0080354 is 312504-15-7.
What is the molecular formula of A1911/0080354?
The molecular formula of A1911/0080354 is C26H25BrN2O7S.
What is the molecular weight of A1911/0080354?
The molecular weight of A1911/0080354 is 588.06 g/mol.
Where can I buy A1911/0080354?
You can request a quote for A1911/0080354 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1911/0080354?
Yes, KEHONG BIO provides custom synthesis services for A1911/0080354 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.