Imbricatine
TL;DR: Imbricatine (CAS 115160-16-2) is a chemical compound with molecular formula C24H26N4O7S and molecular weight 514.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3R)-5-[5-[(2S)-2-amino-2-carboxyethyl]-1-methylimidazol-4-yl]sulfanyl-6,8-dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Also Known As: Imbricatine, LL-Z 1272z, KST-1A0708, (1r,3r)-5-({5-[(2s)-2-amino-2-carboxyethyl]-1-methyl-1h-imidazol-4-yl}sulfanyl)-6,8-dihydroxy-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 3-Isoquinolinecarboxylicacid,5-[[5-[(2S)-2-amino-2-carboxyethyl]-1-methyl-1H-imidazol-4-yl]thio]-1,2,3,4-tetrahydro-6,8-dihydroxy-1-[(4-hydroxyphenyl)methyl]-,(1R,3R)-
| Molecular Formula | C24H26N4O7S |
|---|---|
| Molecular Weight | 514.15 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 514.1522 |
| Heavy Atoms | 36 |
| Complexity | 786.0 |
Chemical Identifiers
| CAS Number | 115160-16-2 |
|---|---|
| SMILES | CN1C=NC(=C1C[C@@H](C(=O)O)N)SC2=C(C=C(C3=C2C[C@@H](N[C@@H]3CC4=CC=C(C=C4)O)C(=O)O)O)O |
| InChIKey | BBIABWPNIDKRLX-ARFHVFGLSA-N |
Product Overview
Imbricatine (CAS 115160-16-2), with molecular formula C24H26N4O7S and molecular weight 514.15 g/mol. IUPAC: (1R,3R)-5-[5-[(2S)-2-amino-2-carboxyethyl]-1-methylimidazol-4-yl]sulfanyl-6,8-dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid.
Chemical Property Profile of Imbricatine
Property Insights of Imbricatine
The XLogP value of -3.2 indicates that Imbricatine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 216.0 Ų indicates high polarity, suggesting Imbricatine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Imbricatine has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Imbricatine?
The CAS number of Imbricatine is 115160-16-2.
What is the molecular formula of Imbricatine?
The molecular formula of Imbricatine is C24H26N4O7S.
What is the molecular weight of Imbricatine?
The molecular weight of Imbricatine is 514.15 g/mol.
Where can I buy Imbricatine?
You can request a quote for Imbricatine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imbricatine?
Yes, KEHONG BIO provides custom synthesis services for Imbricatine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.