THIQ
TL;DR: THIQ (CAS 312637-48-2) is a chemical compound with molecular formula C33H41ClN6O2 and molecular weight 588.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Also Known As: THIQ, EX-A14656, 5-bromo-1-propyl-1H-indol-2,3-dione, (3R)-N-[(1R)-1-[(4-Chlorophenyl)methyl]-2-[4-cyclohexyl-4-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidinyl]-2-oxoethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide, (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
| Molecular Formula | C33H41ClN6O2 |
|---|---|
| Molecular Weight | 588.30 g/mol |
| LogP | 4.5626 |
| Topological Polar Surface Area | 92.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 588.298 |
| Heavy Atoms | 42 |
| Complexity | 1347.1251 |
Chemical Identifiers
| CAS Number | 312637-48-2 |
|---|---|
| SMILES | C1CCC(CC1)C2(CCN(CC2)C(=O)[C@@H](CC3=CC=C(C=C3)Cl)NC(=O)[C@H]4CC5=CC=CC=C5CN4)CN6C=NC=N6 |
Product Overview
THIQ (CAS 312637-48-2), with molecular formula C33H41ClN6O2 and molecular weight 588.30 g/mol. IUPAC: (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
Chemical Property Profile of THIQ
Property Insights of THIQ
The XLogP value of 4.5626 indicates that THIQ is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.15 Ų falls within the moderate polarity range, balancing permeability and solubility for THIQ. Following Lipinski's Rule of Five, THIQ has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of THIQ?
The CAS number of THIQ is 312637-48-2.
What is the molecular formula of THIQ?
The molecular formula of THIQ is C33H41ClN6O2.
What is the molecular weight of THIQ?
The molecular weight of THIQ is 588.30 g/mol.
Where can I buy THIQ?
You can request a quote for THIQ directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for THIQ?
Yes, KEHONG BIO provides custom synthesis services for THIQ and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.