RefChem:1055675
TL;DR: RefChem:1055675 (CAS 23824-29-5) is a chemical compound with molecular formula C16H23NO4 and molecular weight 293.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate
Also Known As: 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-2-methyl-, isopentyl ester, 4,6-Dihydroxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid isopentyl ester, 1-Isoquinolinecarboxylic acid, 4,6-dihydroxy-2-methyl-1,2,3,4-tetrahydro-, isopentyl ester, 3-Methylbutyl 4,6-dihydroxy-2-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylate, 3-methylbutyl 4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate
| Molecular Formula | C16H23NO4 |
|---|---|
| Molecular Weight | 293.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.16272 |
| Heavy Atoms | 21 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 23824-29-5 |
|---|---|
| SMILES | CC(C)CCOC(=O)C1C2=C(C=C(C=C2)O)C(CN1C)O |
| InChIKey | HELVHBUMENIROO-UHFFFAOYSA-N |
Product Overview
RefChem:1055675 (CAS 23824-29-5), with molecular formula C16H23NO4 and molecular weight 293.16 g/mol. IUPAC: 3-methylbutyl 4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate.
Chemical Property Profile of RefChem:1055675
Property Insights of RefChem:1055675
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1055675. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1055675. Following Lipinski's Rule of Five, RefChem:1055675 has 2 hydrogen bond donor(s) and 5 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 RefChem:1055675?
The CAS number of RefChem:1055675 is 23824-29-5.
What is the molecular formula of RefChem:1055675?
The molecular formula of RefChem:1055675 is C16H23NO4.
What is the molecular weight of RefChem:1055675?
The molecular weight of RefChem:1055675 is 293.16 g/mol.
Where can I buy RefChem:1055675?
You can request a quote for RefChem:1055675 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1055675?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1055675 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.