BAS 00727364
TL;DR: BAS 00727364 (CAS 331979-73-8) is a chemical compound with molecular formula C28H20Cl2N2O6S and molecular weight 582.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[5-[(Z)-[5-(2-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: BAS 00727364, AM-879/11808014, 2-chloro-5-[5-[(Z)-[5-(2-chlorophenyl)-6-ethoxycarbonyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]furan-2-yl]benzoic acid, 2-chloro-5-{5-[(5-(2-chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]-2-furyl}benzoic acid, (Z)-2-chloro-5-(5-((5-(2-chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-2-ylidene)methyl)furan-2-yl)benzoic acid
| Molecular Formula | C28H20Cl2N2O6S |
|---|---|
| Molecular Weight | 582.04 g/mol |
| LogP | 5.0633 |
| Topological Polar Surface Area | 111.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 582.04193 |
| Heavy Atoms | 39 |
| Complexity | 1849.6904 |
Chemical Identifiers
| CAS Number | 331979-73-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)/C(=C/C4=CC=C(O4)C5=CC(=C(C=C5)Cl)C(=O)O)/S2)C |
Product Overview
BAS 00727364 (CAS 331979-73-8), with molecular formula C28H20Cl2N2O6S and molecular weight 582.04 g/mol. IUPAC: 2-chloro-5-[5-[(Z)-[5-(2-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 BAS 00727364
Property Insights of BAS 00727364
The XLogP value of 5.0633 indicates that BAS 00727364 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 BAS 00727364. Following Lipinski's Rule of Five, BAS 00727364 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 BAS 00727364?
The CAS number of BAS 00727364 is 331979-73-8.
What is the molecular formula of BAS 00727364?
The molecular formula of BAS 00727364 is C28H20Cl2N2O6S.
What is the molecular weight of BAS 00727364?
The molecular weight of BAS 00727364 is 582.04 g/mol.
Where can I buy BAS 00727364?
You can request a quote for BAS 00727364 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00727364?
Yes, KEHONG BIO provides custom synthesis services for BAS 00727364 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.