Methanediol,amino
TL;DR: Methanediol,amino (CAS 52435-87-7) is a chemical compound with molecular formula C26H18O7 and molecular weight 442.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-acetyloxy-4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl)-1-hydroxynaphthalene-2-carboxylate
Also Known As: Methanediol,amino, 2-Naphthalenecarboxylic acid, 4-[1-(acetyloxy)-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-1-hydroxy-, methyl ester, 3-Acetoxy-3-(3'-carbomethoxy-4'-hydroxynaphthyl)-1,8-naphthalide, methyl 4-(1-acetoxy-3-oxo-1h,3h-benzo[de]isochromen-1-yl)-1-hydroxy-2-naphthoate, 2-Naphthalenecarboxylic acid, 4-(1-(acetyloxy)-3-oxo-1H,3H-naphtho(1,8-cd)pyran-1-yl)-1-hydroxy-, methyl ester
| Molecular Formula | C26H18O7 |
|---|---|
| Molecular Weight | 442.11 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.10526 |
| Heavy Atoms | 33 |
| Complexity | 796.0 |
Chemical Identifiers
| CAS Number | 52435-87-7 |
|---|---|
| SMILES | CC(=O)OC1(C2=CC=CC3=C2C(=CC=C3)C(=O)O1)C4=CC(=C(C5=CC=CC=C54)O)C(=O)OC |
| InChIKey | FLIPGGYCYPKIFD-UHFFFAOYSA-N |
Product Overview
Methanediol,amino (CAS 52435-87-7), with molecular formula C26H18O7 and molecular weight 442.11 g/mol. IUPAC: methyl 4-(2-acetyloxy-4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl)-1-hydroxynaphthalene-2-carboxylate.
Chemical Property Profile of Methanediol,amino
Property Insights of Methanediol,amino
The XLogP value of 5.4 indicates that Methanediol,amino is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanediol,amino. Following Lipinski's Rule of Five, Methanediol,amino 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 Methanediol,amino?
The CAS number of Methanediol,amino is 52435-87-7.
What is the molecular formula of Methanediol,amino?
The molecular formula of Methanediol,amino is C26H18O7.
What is the molecular weight of Methanediol,amino?
The molecular weight of Methanediol,amino is 442.11 g/mol.
Where can I buy Methanediol,amino?
You can request a quote for Methanediol,amino directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanediol,amino?
Yes, KEHONG BIO provides custom synthesis services for Methanediol,amino and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.