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CAS 444315-15-5 Aminopropyllsobutyl POSS molecular structure lightbox
CAS RN: 444315-15-5

Aminopropyllsobutyl POSS

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250408 100g In stock Shanghai Inquiry
Batchno.20250628 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260531 25g In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20250618 5g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: SSC-152447
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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: 25g
  • 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 444315-15-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

444315-15-5 / 3-[3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]propan-1-amine

Standard CAS: 444315-15-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
444315-15-5
Multi CAS
No
Molecular Formula
C31H71NO12Si8
Molecular Weight
874.600000
Exact Mass
873.313039
InChI
InChI=1S/C31H71NO12Si8/c1-25(2)18-46-33-45(17-15-16-32)34-47(19-26(3)4)38-49(36-46,21-28(7)8)42-52(24-31(13)14)43-50(37-46,22-29(9)10)39-48(35-45,20-27(5)6)41-51(40-47,44-52)23-30(11)12/h25-31H,15-24,32H2,1-14H3
InChIKey
CHMZVPNSZABMOQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Fraction Csp3
1
Rotatable bonds
17
H-bond acceptors
13
H-bond donors
1
Molar refractivity
215.05
TPSA
136.78

LogP / Solubility

WLOGP
7.71
MLOGP
6.86
XLogP3
7.71
Consensus LogP
7.43
Log S (ESOL)
-8.99
Class (ESOL)
Insoluble
Log S (Ali)
-12.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.78
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.58

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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