Atalaphillinine
TL;DR: Atalaphillinine (CAS 56296-87-8) is a chemical compound with molecular formula C23H23NO4 and molecular weight 377.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,11-dihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)-12H-pyrano[2,3-c]acridin-7-one
Also Known As: Atalaphillinine, atalaphyllinine, 6,11-dihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)-12H-pyrano[2,3-c]acridin-7-one, 6,11-dihydroxy-3,3-dimethyl-5-(3-methylbut-2-en-1-yl)-3,12-dihydro-7h-pyrano[2,3-c]acridin-7-one, 7H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6,11-dihydroxy-3,3-dimethyl-5-(3-methyl-2-butenyl)-
| Molecular Formula | C23H23NO4 |
|---|---|
| Molecular Weight | 377.16 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.16272 |
| Heavy Atoms | 28 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 56296-87-8 |
|---|---|
| SMILES | CC(=CCC1=C2C(=C3C(=C1O)C(=O)C4=C(N3)C(=CC=C4)O)C=CC(O2)(C)C)C |
| InChIKey | QJMYUQUOPGKBEZ-UHFFFAOYSA-N |
Product Overview
Atalaphillinine (CAS 56296-87-8), with molecular formula C23H23NO4 and molecular weight 377.16 g/mol. IUPAC: 6,11-dihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)-12H-pyrano[2,3-c]acridin-7-one.
Chemical Property Profile of Atalaphillinine
Property Insights of Atalaphillinine
The XLogP value of 5.7 indicates that Atalaphillinine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Atalaphillinine. Following Lipinski's Rule of Five, Atalaphillinine has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Atalaphillinine?
The CAS number of Atalaphillinine is 56296-87-8.
What is the molecular formula of Atalaphillinine?
The molecular formula of Atalaphillinine is C23H23NO4.
What is the molecular weight of Atalaphillinine?
The molecular weight of Atalaphillinine is 377.16 g/mol.
Where can I buy Atalaphillinine?
You can request a quote for Atalaphillinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atalaphillinine?
Yes, KEHONG BIO provides custom synthesis services for Atalaphillinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.