1,4-Naphthoquinone, 3-chloro-2-isopentylamino-
TL;DR: 1,4-Naphthoquinone, 3-chloro-2-isopentylamino- (CAS 73816-84-9) is a chemical compound with molecular formula C15H16ClNO2 and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(3-methylbutylamino)naphthalene-1,4-dione
Also Known As: 2-Isoamylamino-3-chloro-1,4-naphthoquinone, 1,4-NAPHTHOQUINONE, 3-CHLORO-2-ISOPENTYLAMINO-, 2-chloro-3-(3-methylbutylamino)naphthalene-1,4-dione, 3-Chloro-2-isopentylamino-1,4-naphthoquinone, 2-Chloro-3-[(3-methylbutyl)amino]naphthalene-1,4-dione
| Molecular Formula | C15H16ClNO2 |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.08694 |
| Heavy Atoms | 19 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 73816-84-9 |
|---|---|
| SMILES | CC(C)CCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl |
| InChIKey | MSFVNXVDTMJAMH-UHFFFAOYSA-N |
Product Overview
1,4-Naphthoquinone, 3-chloro-2-isopentylamino- (CAS 73816-84-9), with molecular formula C15H16ClNO2 and molecular weight 277.09 g/mol. IUPAC: 2-chloro-3-(3-methylbutylamino)naphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthoquinone, 3-chloro-2-isopentylamino-
Property Insights of 1,4-Naphthoquinone, 3-chloro-2-isopentylamino-
The XLogP value of 4.4 indicates that 1,4-Naphthoquinone, 3-chloro-2-isopentylamino- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.2 Ų, 1,4-Naphthoquinone, 3-chloro-2-isopentylamino- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthoquinone, 3-chloro-2-isopentylamino- 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 1,4-Naphthoquinone, 3-chloro-2-isopentylamino-?
The CAS number of 1,4-Naphthoquinone, 3-chloro-2-isopentylamino- is 73816-84-9.
What is the molecular formula of 1,4-Naphthoquinone, 3-chloro-2-isopentylamino-?
The molecular formula of 1,4-Naphthoquinone, 3-chloro-2-isopentylamino- is C15H16ClNO2.
What is the molecular weight of 1,4-Naphthoquinone, 3-chloro-2-isopentylamino-?
The molecular weight of 1,4-Naphthoquinone, 3-chloro-2-isopentylamino- is 277.09 g/mol.
Where can I buy 1,4-Naphthoquinone, 3-chloro-2-isopentylamino-?
You can request a quote for 1,4-Naphthoquinone, 3-chloro-2-isopentylamino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthoquinone, 3-chloro-2-isopentylamino-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthoquinone, 3-chloro-2-isopentylamino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.