2-Geranylbuttersaeure
TL;DR: 2-Geranylbuttersaeure (CAS 5829-26-5) is a chemical compound with molecular formula C26H21BrN2O5S and molecular weight 552.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-bromofuran-2-yl)methylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: 2-Geranylbuttersaeure, ethyl 2-[(5-bromofuran-2-yl)methylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL (8Z)-8-[(5-BROMO-2-FURYL)METHYLIDENE]-2-(2-METHOXYNAPHTHALEN-1-YL)-4-METHYL-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE, Ethyl 2-[(5-bromofuran-2-yl)methylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C26H21BrN2O5S |
|---|---|
| Molecular Weight | 552.04 g/mol |
| LogP | 4.3156 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 552.03546 |
| Heavy Atoms | 35 |
| Complexity | 1677.7117 |
Chemical Identifiers
| CAS Number | 5829-26-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC4=CC=CC=C43)OC)C(=O)C(=CC5=CC=C(O5)Br)S2)C |
Product Overview
2-Geranylbuttersaeure (CAS 5829-26-5), with molecular formula C26H21BrN2O5S and molecular weight 552.04 g/mol. IUPAC: ethyl 2-[(5-bromofuran-2-yl)methylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of 2-Geranylbuttersaeure
Property Insights of 2-Geranylbuttersaeure
The XLogP value of 4.3156 indicates that 2-Geranylbuttersaeure is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Geranylbuttersaeure. Following Lipinski's Rule of Five, 2-Geranylbuttersaeure has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Geranylbuttersaeure?
The CAS number of 2-Geranylbuttersaeure is 5829-26-5.
What is the molecular formula of 2-Geranylbuttersaeure?
The molecular formula of 2-Geranylbuttersaeure is C26H21BrN2O5S.
What is the molecular weight of 2-Geranylbuttersaeure?
The molecular weight of 2-Geranylbuttersaeure is 552.04 g/mol.
Where can I buy 2-Geranylbuttersaeure?
You can request a quote for 2-Geranylbuttersaeure directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Geranylbuttersaeure?
Yes, KEHONG BIO provides custom synthesis services for 2-Geranylbuttersaeure and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.