[email protected]
CAS 254435-95-5 alisporivir molecular structure lightbox
CAS RN: 254435-95-5

alisporivir

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260327 1mg / 5mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260517 10mg In stock Shanghai Inquiry
Batchno.20250120 1mg In stock Shanghai Inquiry
Batchno.20250511 25mg In stock Shanghai Inquiry
Batchno.20250421 50mg In stock Shanghai Inquiry
Batchno.20260122 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS254435-95-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

254435-95-5 / (3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-diethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,27,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

Standard CAS: 254435-95-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
254435-95-5
Multi CAS
No
Molecular Formula
C63H113N11O12
Molecular Weight
1216.600000
Exact Mass
1215.857018
SMILES
CC[C@H]1C(=O)N([C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)C(C)C)CC)C)C
InChI
InChI=1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1
InChIKey
OLROWHGDTNFZBH-XEMWPYQTSA-N

Computed Properties

Structural Parameters

Heavy atom count
86
Fraction Csp3
0.79
Rotatable bonds
15
H-bond acceptors
12
H-bond donors
5
Molar refractivity
333.04
TPSA
278.8

LogP / Solubility

WLOGP
3.66
MLOGP
3.34
XLogP3
7.9
Consensus LogP
4.97
Log S (ESOL)
-8.7
Class (ESOL)
Insoluble
Log S (Ali)
-12.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.4
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-7.54

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us