BAS 00865444
TL;DR: BAS 00865444 (CAS 328540-31-4) is a chemical compound with molecular formula C28H20N4O4S and molecular weight 508.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-(4-phenylmethoxyphenyl)pyridine-3,5-dicarbonitrile
Also Known As: BAS 00865444, AE-848/37125172, F0192-0804, 2-Amino-6-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-4-[4-(phenylmethoxy)phenyl]-3,5-pyridinedicarbonitrile, 2-amino-6-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-(4-phenylmethoxyphenyl)pyridine-3,5-dicarbonitrile
| Molecular Formula | C28H20N4O4S |
|---|---|
| Molecular Weight | 508.12 g/mol |
| LogP | 5.03936 |
| Topological Polar Surface Area | 153.25 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 508.1205 |
| Heavy Atoms | 37 |
| Complexity | 1542.1837 |
Chemical Identifiers
| CAS Number | 328540-31-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C(=NC(=C3C#N)SCC(=O)C4=CC(=C(C=C4)O)O)N)C#N |
Product Overview
BAS 00865444 (CAS 328540-31-4), with molecular formula C28H20N4O4S and molecular weight 508.12 g/mol. IUPAC: 2-amino-6-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-(4-phenylmethoxyphenyl)pyridine-3,5-dicarbonitrile.
Chemical Property Profile of BAS 00865444
Property Insights of BAS 00865444
The XLogP value of 5.03936 indicates that BAS 00865444 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.25 Ų indicates high polarity, suggesting BAS 00865444 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00865444 has 3 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 00865444?
The CAS number of BAS 00865444 is 328540-31-4.
What is the molecular formula of BAS 00865444?
The molecular formula of BAS 00865444 is C28H20N4O4S.
What is the molecular weight of BAS 00865444?
The molecular weight of BAS 00865444 is 508.12 g/mol.
Where can I buy BAS 00865444?
You can request a quote for BAS 00865444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865444?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.