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CAS 392711-19-2 SiroliMus-D3/ RapaMycin-D3 molecular structure lightbox
CAS RN: 392711-19-2

SiroliMus-D3/ RapaMycin-D3

  • Product code: SSC-146972
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.001g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 392711-19-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.001g ≥95% 0 Out of Stock Shanghai Inquiry

392711-19-2 / 1,18-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

Standard CAS: 392711-19-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
392711-19-2
Multi CAS
Yes
Molecular Formula
C51H79NO13
Molecular Weight
914.200000
Exact Mass
913.555142
InChI
InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3
InChIKey
QFJCIRLUMZQUOT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
65
Fraction Csp3
0.75
Rotatable bonds
6
H-bond acceptors
13
H-bond donors
3
Molar refractivity
245.14
TPSA
195.43

LogP / Solubility

WLOGP
6.18
MLOGP
5.52
XLogP3
6
Consensus LogP
5.9
Log S (ESOL)
-9.01
Class (ESOL)
Insoluble
Log S (Ali)
-11.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.45
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)
-3.91

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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