Ciluprevir
TL;DR: Ciluprevir (CAS 300832-84-2) is a chemical compound with molecular formula C40H50N6O8S and molecular weight 774.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
Also Known As: Ciluprevir, BILN-2061;Ciluprevir, Ciluprevir (BILN-2061), ahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid, (2R,6S,12Z,14aR,16aS)-6-{[(cyclopentyloxy)carbonyl]amino}-2-[(7-methoxy-2-{2-[(1-methylethyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a
| Molecular Formula | C40H50N6O8S |
|---|---|
| Molecular Weight | 774.34 g/mol |
| LogP | 6.0527 |
| Topological Polar Surface Area | 181.31 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 774.34106 |
| Heavy Atoms | 55 |
| Complexity | 1944.9672 |
Chemical Identifiers
| CAS Number | 300832-84-2 |
|---|---|
| SMILES | CC(C)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3)OC)C(=C2)O[C@@H]4C[C@H]5C(=O)N[C@@]6(CC6/C=C\CCCCC[C@@H](C(=O)N5C4)NC(=O)OC7CCCC7)C(=O)O |
Product Overview
Ciluprevir (CAS 300832-84-2), with molecular formula C40H50N6O8S and molecular weight 774.34 g/mol. IUPAC: (1S,4R,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid.
Chemical Property Profile of Ciluprevir
Property Insights of Ciluprevir
The XLogP value of 6.0527 indicates that Ciluprevir is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.31 Ų indicates high polarity, suggesting Ciluprevir may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ciluprevir has 4 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 Ciluprevir?
The CAS number of Ciluprevir is 300832-84-2.
What is the molecular formula of Ciluprevir?
The molecular formula of Ciluprevir is C40H50N6O8S.
What is the molecular weight of Ciluprevir?
The molecular weight of Ciluprevir is 774.34 g/mol.
Where can I buy Ciluprevir?
You can request a quote for Ciluprevir directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ciluprevir?
Yes, KEHONG BIO provides custom synthesis services for Ciluprevir and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.