3,3-Dimethyl-2-oxobutyl 2-chloroquinoline-4-carboxylate
TL;DR: 3,3-Dimethyl-2-oxobutyl 2-chloroquinoline-4-carboxylate (CAS 876907-04-9) is a chemical compound with molecular formula C16H16ClNO3 and molecular weight 305.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3-dimethyl-2-oxobutyl) 2-chloroquinoline-4-carboxylate
Also Known As: 3,3-dimethyl-2-oxobutyl 2-chloroquinoline-4-carboxylate, (3,3-dimethyl-2-oxobutyl) 2-chloroquinoline-4-carboxylate
| Molecular Formula | C16H16ClNO3 |
|---|---|
| Molecular Weight | 305.08 g/mol |
| LogP | 3.6602 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.08188 |
| Heavy Atoms | 21 |
| Complexity | 704.22455 |
Chemical Identifiers
| CAS Number | 876907-04-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)Cl |
Product Overview
3,3-Dimethyl-2-oxobutyl 2-chloroquinoline-4-carboxylate (CAS 876907-04-9), with molecular formula C16H16ClNO3 and molecular weight 305.08 g/mol. IUPAC: (3,3-dimethyl-2-oxobutyl) 2-chloroquinoline-4-carboxylate.
Chemical Property Profile of 3,3-Dimethyl-2-oxobutyl 2-chloroquinoline-4-carboxylate
Property Insights of 3,3-Dimethyl-2-oxobutyl 2-chloroquinoline-4-carboxylate
The XLogP value of 3.6602 indicates that 3,3-Dimethyl-2-oxobutyl 2-chloroquinoline-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 3,3-Dimethyl-2-oxobutyl 2-chloroquinoline-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-2-oxobutyl 2-chloroquinoline-4-carboxylate has 0 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 3,3-Dimethyl-2-oxobutyl 2-chloroquinoline-4-carboxylate?
The CAS number of 3,3-Dimethyl-2-oxobutyl 2-chloroquinoline-4-carboxylate is 876907-04-9.
What is the molecular formula of 3,3-Dimethyl-2-oxobutyl 2-chloroquinoline-4-carboxylate?
The molecular formula of 3,3-Dimethyl-2-oxobutyl 2-chloroquinoline-4-carboxylate is C16H16ClNO3.
What is the molecular weight of 3,3-Dimethyl-2-oxobutyl 2-chloroquinoline-4-carboxylate?
The molecular weight of 3,3-Dimethyl-2-oxobutyl 2-chloroquinoline-4-carboxylate is 305.08 g/mol.
Where can I buy 3,3-Dimethyl-2-oxobutyl 2-chloroquinoline-4-carboxylate?
You can request a quote for 3,3-Dimethyl-2-oxobutyl 2-chloroquinoline-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-2-oxobutyl 2-chloroquinoline-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-2-oxobutyl 2-chloroquinoline-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.