Didemethyltetrahydrocurcumin
TL;DR: Didemethyltetrahydrocurcumin (CAS 155367-45-6) is a chemical compound with molecular formula C16H21NO4 and molecular weight 291.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: Didemethyltetrahydrocurcumin, 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic Acid, 2-[(tert-Butoxy)carbonyl]-5-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, BOC-DL-5-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID, 98, N-Boc-5-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
| Molecular Formula | C16H21NO4 |
|---|---|
| Molecular Weight | 291.15 g/mol |
| LogP | 2.74142 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 291.14706 |
| Heavy Atoms | 21 |
| Complexity | 574.13 |
Chemical Identifiers
| CAS Number | 155367-45-6 |
|---|---|
| SMILES | CC1=C2CC(N(CC2=CC=C1)C(=O)OC(C)(C)C)C(=O)O |
Product Overview
Didemethyltetrahydrocurcumin (CAS 155367-45-6), with molecular formula C16H21NO4 and molecular weight 291.15 g/mol. IUPAC: 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.
Chemical Property Profile of Didemethyltetrahydrocurcumin
Property Insights of Didemethyltetrahydrocurcumin
The XLogP value of 2.74142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Didemethyltetrahydrocurcumin. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Didemethyltetrahydrocurcumin. Following Lipinski's Rule of Five, Didemethyltetrahydrocurcumin 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 Didemethyltetrahydrocurcumin?
The CAS number of Didemethyltetrahydrocurcumin is 155367-45-6.
What is the molecular formula of Didemethyltetrahydrocurcumin?
The molecular formula of Didemethyltetrahydrocurcumin is C16H21NO4.
What is the molecular weight of Didemethyltetrahydrocurcumin?
The molecular weight of Didemethyltetrahydrocurcumin is 291.15 g/mol.
Where can I buy Didemethyltetrahydrocurcumin?
You can request a quote for Didemethyltetrahydrocurcumin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Didemethyltetrahydrocurcumin?
Yes, KEHONG BIO provides custom synthesis services for Didemethyltetrahydrocurcumin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.