2-(Butylamino)-3-chloronaphthoquinone
TL;DR: 2-(Butylamino)-3-chloronaphthoquinone (CAS 22401-81-6) is a chemical compound with molecular formula C14H14ClNO2 and molecular weight 263.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butylamino)-3-chloronaphthalene-1,4-dione
Also Known As: 2-(butylamino)-3-chloronaphthoquinone, 2-(butylamino)-3-chloronaphthalene-1,4-dione, NCIOpen2_005710, 1,4-Naphthalenedione,2-(butylamino)-3-chloro-, 3-(butylamino)-2-chloronaphthalene-1,4-dione
| Molecular Formula | C14H14ClNO2 |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.07132 |
| Heavy Atoms | 18 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 22401-81-6 |
|---|---|
| SMILES | CCCCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl |
| InChIKey | JCFNCUAAGWEUNO-UHFFFAOYSA-N |
Product Overview
2-(Butylamino)-3-chloronaphthoquinone (CAS 22401-81-6), with molecular formula C14H14ClNO2 and molecular weight 263.07 g/mol. IUPAC: 2-(butylamino)-3-chloronaphthalene-1,4-dione.
Chemical Property Profile of 2-(Butylamino)-3-chloronaphthoquinone
Property Insights of 2-(Butylamino)-3-chloronaphthoquinone
The XLogP value of 4.0 indicates that 2-(Butylamino)-3-chloronaphthoquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.2 Ų, 2-(Butylamino)-3-chloronaphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Butylamino)-3-chloronaphthoquinone has 1 hydrogen bond donor(s) and 3 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-(Butylamino)-3-chloronaphthoquinone?
The CAS number of 2-(Butylamino)-3-chloronaphthoquinone is 22401-81-6.
What is the molecular formula of 2-(Butylamino)-3-chloronaphthoquinone?
The molecular formula of 2-(Butylamino)-3-chloronaphthoquinone is C14H14ClNO2.
What is the molecular weight of 2-(Butylamino)-3-chloronaphthoquinone?
The molecular weight of 2-(Butylamino)-3-chloronaphthoquinone is 263.07 g/mol.
Where can I buy 2-(Butylamino)-3-chloronaphthoquinone?
You can request a quote for 2-(Butylamino)-3-chloronaphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Butylamino)-3-chloronaphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Butylamino)-3-chloronaphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.