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CAS 195833-46-6 LIPASE SUBSTRATE CHROMOGENIC molecular structure lightbox
CAS RN: 195833-46-6

LIPASE SUBSTRATE CHROMOGENIC

  • Product code: SSC-092601
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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: 1g
  • 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 195833-46-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

195833-46-6 / 1-O-(2,3-didodecoxypropyl) 5-O-(6-methyl-7-oxophenoxazin-3-yl) pentanedioate

Standard CAS: 195833-46-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
195833-46-6
Multi CAS
No
Molecular Formula
C45H69NO8
Molecular Weight
752.000000
Exact Mass
751.502318
SMILES
CCCCCCCCCCCCOCC(COC(=O)CCCC(=O)OC1=CC2=C(C=C1)N=C3C=CC(=O)C(=C3O2)C)OCCCCCCCCCCCC
InChI
InChI=1S/C45H69NO8/c1-4-6-8-10-12-14-16-18-20-22-31-50-34-38(51-32-23-21-19-17-15-13-11-9-7-5-2)35-52-43(48)25-24-26-44(49)53-37-27-28-39-42(33-37)54-45-36(3)41(47)30-29-40(45)46-39/h27-30,33,38H,4-26,31-32,34-35H2,1-3H3
InChIKey
FYOMYGYHAZESGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
14
Fraction Csp3
0.69
Rotatable bonds
32
H-bond acceptors
9
Molar refractivity
216.33
TPSA
114.16

LogP / Solubility

WLOGP
11.46
MLOGP
10.15
XLogP3
12.7
Consensus LogP
11.44
Log S (ESOL)
-9.8
Class (ESOL)
Insoluble
Log S (Ali)
-14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.9
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.83

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
4.5

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