RefChem:118456
TL;DR: RefChem:118456 (CAS 71297-15-9) is a chemical compound with molecular formula C44H55ClN4O8 and molecular weight 802.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-dodecoxy-1-oxopropan-2-yl) 3-[[2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate
Also Known As: Benzoic acid, 4-chloro-3-[[2-[3,5-dioxo-1-phenyl-2-(phenylmethyl)-1,2,4-triazolidin-4-yl]-4,4-dimethyl-1,3-dioxopentyl]amino]-, 2-(dodecyloxy)-1-methyl-2-oxoethyl ester, 1-(dodecyloxy)-1-oxopropan-2-yl 3-{[2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino}-4-chlorobenzoate, Benzoic acid, 4-chloro-3-((2-(3,5-dioxo-1-phenyl-2-(phenylmethyl)-1,2,4-triazolidin-4-yl)-4,4-dimethyl-1,3-dioxopentyl)amino)-, 2-(dodecyloxy)-1-methyl-2-oxoethyl ester, 1-dodecoxycarbonylethyl 3-[[2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxo-pentanoyl]amino]-4-chloro-benzoate, (1-dodecoxy-1-oxopropan-2-yl) 3-[[2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate
| Molecular Formula | C44H55ClN4O8 |
|---|---|
| Molecular Weight | 802.37 g/mol |
| LogP | 11.7 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 24 |
| Exact Mass | 802.37085 |
| Heavy Atoms | 57 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 71297-15-9 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)C(C)OC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)N2C(=O)N(N(C2=O)C3=CC=CC=C3)CC4=CC=CC=C4 |
| InChIKey | ONXHKHVNPZCHFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:118456 (CAS 71297-15-9), with molecular formula C44H55ClN4O8 and molecular weight 802.37 g/mol. IUPAC: (1-dodecoxy-1-oxopropan-2-yl) 3-[[2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate.
Chemical Property Profile of RefChem:118456
Property Insights of RefChem:118456
The XLogP value of 11.7 indicates that RefChem:118456 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting RefChem:118456 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:118456 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118456?
The CAS number of RefChem:118456 is 71297-15-9.
What is the molecular formula of RefChem:118456?
The molecular formula of RefChem:118456 is C44H55ClN4O8.
What is the molecular weight of RefChem:118456?
The molecular weight of RefChem:118456 is 802.37 g/mol.
Where can I buy RefChem:118456?
You can request a quote for RefChem:118456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118456?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.