A1586/0068879
TL;DR: A1586/0068879 (CAS 328263-69-0) is a chemical compound with molecular formula C28H21ClN2O6S and molecular weight 548.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(Z)-[5-(4-chlorophenyl)-6-ethoxycarbonyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]furan-2-yl]benzoic acid
Also Known As: A1586/0068879, (Z)-3-(5-((5-(4-chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-2-ylidene)methyl)furan-2-yl)benzoic acid, 3-(5-{(Z)-[5-(4-chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid, 3-(5-{[(2Z)-5-(4-CHLOROPHENYL)-6-(ETHOXYCARBONYL)-7-METHYL-3-OXO-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDIN-2-YLIDENE]METHYL}FURAN-2-YL)BENZOIC ACID, 3-[5-[(Z)-[5-(4-chlorophenyl)-6-ethoxycarbonyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]furan-2-yl]benzoic acid
| Molecular Formula | C28H21ClN2O6S |
|---|---|
| Molecular Weight | 548.08 g/mol |
| LogP | 4.4099 |
| Topological Polar Surface Area | 111.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 548.0809 |
| Heavy Atoms | 38 |
| Complexity | 1778.4819 |
Chemical Identifiers
| CAS Number | 328263-69-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)/C(=C/C4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)/S2)C |
Product Overview
A1586/0068879 (CAS 328263-69-0), with molecular formula C28H21ClN2O6S and molecular weight 548.08 g/mol. IUPAC: 3-[5-[(Z)-[5-(4-chlorophenyl)-6-ethoxycarbonyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of A1586/0068879
Property Insights of A1586/0068879
The XLogP value of 4.4099 indicates that A1586/0068879 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.1 Ų falls within the moderate polarity range, balancing permeability and solubility for A1586/0068879. Following Lipinski's Rule of Five, A1586/0068879 has 1 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 A1586/0068879?
The CAS number of A1586/0068879 is 328263-69-0.
What is the molecular formula of A1586/0068879?
The molecular formula of A1586/0068879 is C28H21ClN2O6S.
What is the molecular weight of A1586/0068879?
The molecular weight of A1586/0068879 is 548.08 g/mol.
Where can I buy A1586/0068879?
You can request a quote for A1586/0068879 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1586/0068879?
Yes, KEHONG BIO provides custom synthesis services for A1586/0068879 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.