4-(3-Methoxyanilino)naphthalene-1,2-dione
TL;DR: 4-(3-Methoxyanilino)naphthalene-1,2-dione (CAS 27699-95-2) is a chemical compound with molecular formula C17H13NO3 and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methoxyanilino)naphthalene-1,2-dione
Also Known As: 4-(3-methoxyanilino)naphthalene-1,2-dione, 4-[(3-methoxyphenyl)amino]naphthalene-1,2-dione, 1,2-Naphthalenedione, 4-[(3-methoxyphenyl)amino]-, 1,2-Naphthalenedione,4-[(3-methoxyphenyl)amino]-, 4-(3-METHOXYANILINO)-1,2-NAPHTHALENEDIONE
| Molecular Formula | C17H13NO3 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.08954 |
| Heavy Atoms | 21 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 27699-95-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32 |
| InChIKey | MBPNUUNXLNZOPC-UHFFFAOYSA-N |
Product Overview
4-(3-Methoxyanilino)naphthalene-1,2-dione (CAS 27699-95-2), with molecular formula C17H13NO3 and molecular weight 279.09 g/mol. IUPAC: 4-(3-methoxyanilino)naphthalene-1,2-dione.
Chemical Property Profile of 4-(3-Methoxyanilino)naphthalene-1,2-dione
Property Insights of 4-(3-Methoxyanilino)naphthalene-1,2-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Methoxyanilino)naphthalene-1,2-dione. With a topological polar surface area (TPSA) of 55.4 Ų, 4-(3-Methoxyanilino)naphthalene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Methoxyanilino)naphthalene-1,2-dione has 1 hydrogen bond donor(s) and 4 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 4-(3-Methoxyanilino)naphthalene-1,2-dione?
The CAS number of 4-(3-Methoxyanilino)naphthalene-1,2-dione is 27699-95-2.
What is the molecular formula of 4-(3-Methoxyanilino)naphthalene-1,2-dione?
The molecular formula of 4-(3-Methoxyanilino)naphthalene-1,2-dione is C17H13NO3.
What is the molecular weight of 4-(3-Methoxyanilino)naphthalene-1,2-dione?
The molecular weight of 4-(3-Methoxyanilino)naphthalene-1,2-dione is 279.09 g/mol.
Where can I buy 4-(3-Methoxyanilino)naphthalene-1,2-dione?
You can request a quote for 4-(3-Methoxyanilino)naphthalene-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Methoxyanilino)naphthalene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Methoxyanilino)naphthalene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.