[email protected]
CAS 63775-96-2 CYCLOSPORIN D molecular structure lightbox
CAS RN: 63775-96-2

CYCLOSPORIN D

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250915 10mg In stock Shanghai, Guangdong Inquiry
Batchno.20251101 10mg Out of stock Inquiry
  • Product code: starshine_CAS63775-96-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

63775-96-2 / (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-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: 63775-96-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63775-96-2
Multi CAS
Yes
Molecular Formula
C63H113N11O12
Molecular Weight
1216.600000
Exact Mass
1215.857018
InChI
InChI=1S/C63H113N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-53,76H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52+,53-/m1/s1
InChIKey
ZNVBEWJRWHNZMK-SYOLRUPNSA-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
332.99
TPSA
278.8

LogP / Solubility

WLOGP
3.52
MLOGP
3.22
XLogP3
8
Consensus LogP
4.91
Log S (ESOL)
-8.61
Class (ESOL)
Insoluble
Log S (Ali)
-12.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.29
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)
-7.65

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