2-(Allylamino)-3-chloronaphthoquinone
TL;DR: 2-(Allylamino)-3-chloronaphthoquinone (CAS 6292-12-2) is a chemical compound with molecular formula C13H10ClNO2 and molecular weight 247.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(prop-2-enylamino)naphthalene-1,4-dione
Also Known As: 2-(allylamino)-3-chloronaphthoquinone, 2-chloro-3-(prop-2-enylamino)naphthalene-1,4-dione, BRD-K45681478, 2-(Allylamino)-3-chloronaphthalene-1,4-dione, BIM-0021999.P001
| Molecular Formula | C13H10ClNO2 |
|---|---|
| Molecular Weight | 247.04 g/mol |
| LogP | 2.2916 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.04001 |
| Heavy Atoms | 17 |
| Complexity | 546.10535 |
Chemical Identifiers
| CAS Number | 6292-12-2 |
|---|---|
| SMILES | C=CCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl |
Product Overview
2-(Allylamino)-3-chloronaphthoquinone (CAS 6292-12-2), with molecular formula C13H10ClNO2 and molecular weight 247.04 g/mol. IUPAC: 2-chloro-3-(prop-2-enylamino)naphthalene-1,4-dione.
Chemical Property Profile of 2-(Allylamino)-3-chloronaphthoquinone
Property Insights of 2-(Allylamino)-3-chloronaphthoquinone
The XLogP value of 2.2916 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Allylamino)-3-chloronaphthoquinone. With a topological polar surface area (TPSA) of 46.17 Ų, 2-(Allylamino)-3-chloronaphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Allylamino)-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-(Allylamino)-3-chloronaphthoquinone?
The CAS number of 2-(Allylamino)-3-chloronaphthoquinone is 6292-12-2.
What is the molecular formula of 2-(Allylamino)-3-chloronaphthoquinone?
The molecular formula of 2-(Allylamino)-3-chloronaphthoquinone is C13H10ClNO2.
What is the molecular weight of 2-(Allylamino)-3-chloronaphthoquinone?
The molecular weight of 2-(Allylamino)-3-chloronaphthoquinone is 247.04 g/mol.
Where can I buy 2-(Allylamino)-3-chloronaphthoquinone?
You can request a quote for 2-(Allylamino)-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-(Allylamino)-3-chloronaphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Allylamino)-3-chloronaphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.