2-Naphthalenecarboxylic acid, 4-(acetyloxy)-8-iodo-5,6,7-trimethoxy-, methyl ester
TL;DR: 2-Naphthalenecarboxylic acid, 4-(acetyloxy)-8-iodo-5,6,7-trimethoxy-, methyl ester (CAS 2981-95-5) is a chemical compound with molecular formula C17H17IO7 and molecular weight 460.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-acetyloxy-8-iodo-5,6,7-trimethoxynaphthalene-2-carboxylate
Also Known As: 2-Naphthalenecarboxylic acid, 4-(acetyloxy)-8-iodo-5,6,7-trimethoxy-, methyl ester, 2-Naphthalenecarboxylic acid,4-(acetyloxy)-8-iodo-5,6,7-trimethoxy-,methyl ester, methyl 4-acetyloxy-8-iodo-5,6,7-trimethoxynaphthalene-2-carboxylate, Methyl 4-acetyloxy-8-iodo-5,6,7-trimethoxy-naphthalene-2-carboxylate
| Molecular Formula | C17H17IO7 |
|---|---|
| Molecular Weight | 460.00 g/mol |
| LogP | 3.1821 |
| Topological Polar Surface Area | 80.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.0019 |
| Heavy Atoms | 25 |
| Complexity | 844.9857 |
Chemical Identifiers
| CAS Number | 2981-95-5 |
|---|---|
| SMILES | CC(=O)OC1=CC(=CC2=C1C(=C(C(=C2I)OC)OC)OC)C(=O)OC |
Product Overview
2-Naphthalenecarboxylic acid, 4-(acetyloxy)-8-iodo-5,6,7-trimethoxy-, methyl ester (CAS 2981-95-5), with molecular formula C17H17IO7 and molecular weight 460.00 g/mol. IUPAC: methyl 4-acetyloxy-8-iodo-5,6,7-trimethoxynaphthalene-2-carboxylate.
Chemical Property Profile of 2-Naphthalenecarboxylic acid, 4-(acetyloxy)-8-iodo-5,6,7-trimethoxy-, methyl ester
Property Insights of 2-Naphthalenecarboxylic acid, 4-(acetyloxy)-8-iodo-5,6,7-trimethoxy-, methyl ester
The XLogP value of 3.1821 indicates that 2-Naphthalenecarboxylic acid, 4-(acetyloxy)-8-iodo-5,6,7-trimethoxy-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Naphthalenecarboxylic acid, 4-(acetyloxy)-8-iodo-5,6,7-trimethoxy-, methyl ester. Following Lipinski's Rule of Five, 2-Naphthalenecarboxylic acid, 4-(acetyloxy)-8-iodo-5,6,7-trimethoxy-, methyl ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Naphthalenecarboxylic acid, 4-(acetyloxy)-8-iodo-5,6,7-trimethoxy-, methyl ester?
The CAS number of 2-Naphthalenecarboxylic acid, 4-(acetyloxy)-8-iodo-5,6,7-trimethoxy-, methyl ester is 2981-95-5.
What is the molecular formula of 2-Naphthalenecarboxylic acid, 4-(acetyloxy)-8-iodo-5,6,7-trimethoxy-, methyl ester?
The molecular formula of 2-Naphthalenecarboxylic acid, 4-(acetyloxy)-8-iodo-5,6,7-trimethoxy-, methyl ester is C17H17IO7.
What is the molecular weight of 2-Naphthalenecarboxylic acid, 4-(acetyloxy)-8-iodo-5,6,7-trimethoxy-, methyl ester?
The molecular weight of 2-Naphthalenecarboxylic acid, 4-(acetyloxy)-8-iodo-5,6,7-trimethoxy-, methyl ester is 460.00 g/mol.
Where can I buy 2-Naphthalenecarboxylic acid, 4-(acetyloxy)-8-iodo-5,6,7-trimethoxy-, methyl ester?
You can request a quote for 2-Naphthalenecarboxylic acid, 4-(acetyloxy)-8-iodo-5,6,7-trimethoxy-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Naphthalenecarboxylic acid, 4-(acetyloxy)-8-iodo-5,6,7-trimethoxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Naphthalenecarboxylic acid, 4-(acetyloxy)-8-iodo-5,6,7-trimethoxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.