CAS RN: 515814-01-4
Voclosporin
Product Availability
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9 package records9 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250324 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260103 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250723 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250908 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260610 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251109 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250630 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260118 | 5g | In stock | Shanghai | Inquiry |
| Batchno.20251112 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS515814-01-4
- Purity/Analytical Methods: >99.0%
515814-01-4 / (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhepta-4,6-dienyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(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
Basic Information
CAS
515814-01-4
Multi CAS
Yes
Molecular Formula
C63H111N11O12
Molecular Weight
1214.600000
Exact Mass
1213.841368
InChI
InChI=1S/C63H111N11O12/c1-25-27-28-29-41(15)53(76)52-57(80)66-44(26-2)59(82)68(18)34-49(75)69(19)45(30-35(3)4)56(79)67-50(39(11)12)62(85)70(20)46(31-36(5)6)55(78)64-42(16)54(77)65-43(17)58(81)71(21)47(32-37(7)8)60(83)72(22)48(33-38(9)10)61(84)73(23)51(40(13)14)63(86)74(52)24/h25,27-28,35-48,50-53,76H,1,26,29-34H2,2-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b28-27+/t41-,42+,43-,44+,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1
InChIKey
BICRTLVBTLFLRD-PTWUADNWSA-N
Physical Properties
Melting Point
>129
Computed Properties
Structural Parameters
Heavy atom count
86
Fraction Csp3
0.76
Rotatable bonds
16
H-bond acceptors
12
H-bond donors
5
Molar refractivity
332.97
TPSA
278.8
LogP / Solubility
WLOGP
3.44
MLOGP
3.14
XLogP3
7.9
Consensus LogP
4.83
Log S (ESOL)
-8.48
Class (ESOL)
Insoluble
Log S (Ali)
-12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.33
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)
-7.69
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
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