![2-{[2-(Tert-butylsulfanyl)ethyl]amino}-3-chloronaphthoquinone structure](/static/products/866/866008-89-1.png)
2-{[2-(Tert-butylsulfanyl)ethyl]amino}-3-chloronaphthoquinone
TL;DR: 2-{[2-(Tert-butylsulfanyl)ethyl]amino}-3-chloronaphthoquinone (CAS 866008-89-1) is a chemical compound with molecular formula C16H18ClNO2S and molecular weight 323.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-tert-butylsulfanylethylamino)-3-chloronaphthalene-1,4-dione
Also Known As: 2-{[2-(tert-butylsulfanyl)ethyl]amino}-3-chloronaphthoquinone, 2-{[2-(tert-butylsulfanyl)ethyl]amino}-3-chloro-1,4-dihydronaphthalene-1,4-dione, 2-(2-tert-butylsulfanylethylamino)-3-chloronaphthalene-1,4-dione, 2-(2-tert-butylsulfanylethylamino)-3-chloro-naphthalene-1,4-dione, 3-chloro-2-(2-tert-butylsulfanylethylamino)naphthalene-1,4-dione
| Molecular Formula | C16H18ClNO2S |
|---|---|
| Molecular Weight | 323.07 g/mol |
| LogP | 3.6373 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.07468 |
| Heavy Atoms | 21 |
| Complexity | 616.9481 |
Chemical Identifiers
| CAS Number | 866008-89-1 |
|---|---|
| SMILES | CC(C)(C)SCCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl |
Product Overview
2-{[2-(Tert-butylsulfanyl)ethyl]amino}-3-chloronaphthoquinone (CAS 866008-89-1), with molecular formula C16H18ClNO2S and molecular weight 323.07 g/mol. IUPAC: 2-(2-tert-butylsulfanylethylamino)-3-chloronaphthalene-1,4-dione.
Chemical Property Profile of 2-{[2-(Tert-butylsulfanyl)ethyl]amino}-3-chloronaphthoquinone
Property Insights of 2-{[2-(Tert-butylsulfanyl)ethyl]amino}-3-chloronaphthoquinone
The XLogP value of 3.6373 indicates that 2-{[2-(Tert-butylsulfanyl)ethyl]amino}-3-chloronaphthoquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.17 Ų, 2-{[2-(Tert-butylsulfanyl)ethyl]amino}-3-chloronaphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[2-(Tert-butylsulfanyl)ethyl]amino}-3-chloronaphthoquinone 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 2-{[2-(Tert-butylsulfanyl)ethyl]amino}-3-chloronaphthoquinone?
The CAS number of 2-{[2-(Tert-butylsulfanyl)ethyl]amino}-3-chloronaphthoquinone is 866008-89-1.
What is the molecular formula of 2-{[2-(Tert-butylsulfanyl)ethyl]amino}-3-chloronaphthoquinone?
The molecular formula of 2-{[2-(Tert-butylsulfanyl)ethyl]amino}-3-chloronaphthoquinone is C16H18ClNO2S.
What is the molecular weight of 2-{[2-(Tert-butylsulfanyl)ethyl]amino}-3-chloronaphthoquinone?
The molecular weight of 2-{[2-(Tert-butylsulfanyl)ethyl]amino}-3-chloronaphthoquinone is 323.07 g/mol.
Where can I buy 2-{[2-(Tert-butylsulfanyl)ethyl]amino}-3-chloronaphthoquinone?
You can request a quote for 2-{[2-(Tert-butylsulfanyl)ethyl]amino}-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-{[2-(Tert-butylsulfanyl)ethyl]amino}-3-chloronaphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(Tert-butylsulfanyl)ethyl]amino}-3-chloronaphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.