Plicacetin
TL;DR: Plicacetin (CAS 43043-15-8) is a chemical compound with molecular formula C25H35N5O7 and molecular weight 517.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]benzamide
Also Known As: Plicacetin, Amicetin B, 4-25-00-03661 (Beilstein Handbook Reference), 4-amino-N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]benzamide, Benzamide, 4-amino-N-(1-(5-((4,6-dideoxy-4-(dimethylamino)-alpha-D-glucopyranosyl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)-1,2-dihydro-2-oxo-4-pyrimidinyl)-, (2R-(2-alpha,5-beta,6-alpha))-
| Molecular Formula | C25H35N5O7 |
|---|---|
| Molecular Weight | 517.25 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 517.25366 |
| Heavy Atoms | 37 |
| Complexity | 891.0 |
Chemical Identifiers
| CAS Number | 43043-15-8 |
|---|---|
| SMILES | CC1C(CCC(O1)N2C=CC(=NC2=O)NC(=O)C3=CC=C(C=C3)N)OC4C(C(C(C(O4)C)N(C)C)O)O |
| InChIKey | NFOMJDXALJABQF-UHFFFAOYSA-N |
Product Overview
Plicacetin (CAS 43043-15-8), with molecular formula C25H35N5O7 and molecular weight 517.25 g/mol. IUPAC: 4-amino-N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]benzamide.
Chemical Property Profile of Plicacetin
Property Insights of Plicacetin
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Plicacetin. The TPSA of 159.0 Ų indicates high polarity, suggesting Plicacetin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Plicacetin has 4 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 Plicacetin?
The CAS number of Plicacetin is 43043-15-8.
What is the molecular formula of Plicacetin?
The molecular formula of Plicacetin is C25H35N5O7.
What is the molecular weight of Plicacetin?
The molecular weight of Plicacetin is 517.25 g/mol.
Where can I buy Plicacetin?
You can request a quote for Plicacetin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Plicacetin?
Yes, KEHONG BIO provides custom synthesis services for Plicacetin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.