CAS RN: 1303533-81-4
ravidasvir hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260411 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1303533-81-4
- Purity/Analytical Methods: >99.0%
1303533-81-4 / methyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;dihydrochloride
Basic Information
CAS
1303533-81-4
Multi CAS
No
Molecular Formula
C42H52Cl2N8O6
Molecular Weight
835.800000
Exact Mass
834.338687
SMILES
CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC3=C(N2)C=C(C=C3)C4=CC5=C(C=C4)C=C(C=C5)C6=CN=C(N6)[C@@H]7CCCN7C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC.Cl.Cl
InChI
InChI=1S/C42H50N8O6.2ClH/c1-23(2)35(47-41(53)55-5)39(51)49-17-7-9-33(49)37-43-22-32(46-37)29-14-13-25-19-26(11-12-27(25)20-29)28-15-16-30-31(21-28)45-38(44-30)34-10-8-18-50(34)40(52)36(24(3)4)48-42(54)56-6;;/h11-16,19-24,33-36H,7-10,17-18H2,1-6H3,(H,43,46)(H,44,45)(H,47,53)(H,48,54);2*1H/t33-,34-,35-,36-;;/m0../s1
InChIKey
JYLMWUZJMRNMDA-SPRBZRACSA-N
Computed Properties
Structural Parameters
Heavy atom count
58
Aromatic heavy atom count
24
Fraction Csp3
0.43
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
4
Molar refractivity
226.82
TPSA
174.64
LogP / Solubility
WLOGP
7.71
MLOGP
6.86
XLogP3
7.71
Consensus LogP
7.43
Log S (ESOL)
-9.52
Class (ESOL)
Insoluble
Log S (Ali)
-11.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8
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