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CAS 88903-69-9 XESTOSPONGIN C molecular structure lightbox
CAS RN: 88903-69-9

XESTOSPONGIN C

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250627 50μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS88903-69-9
  • Purity/Analytical Methods: >99.0%
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88903-69-9 / 9,30-dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontane

Standard CAS: 88903-69-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88903-69-9
Multi CAS
Yes
Molecular Formula
C28H50N2O2
Molecular Weight
446.700000
Exact Mass
446.387229
InChI
InChI=1S/C28H50N2O2/c1-3-7-15-25-17-21-30-20-10-14-24(28(30)31-25)12-6-2-4-8-16-26-18-22-29-19-9-13-23(11-5-1)27(29)32-26/h23-28H,1-22H2
InChIKey
PQYOPBRFUUEHRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
1
H-bond acceptors
4
Molar refractivity
130.55
TPSA
24.94

LogP / Solubility

WLOGP
6.34
MLOGP
5.6
XLogP3
7.4
Consensus LogP
6.45
Log S (ESOL)
-6.6
Class (ESOL)
Insoluble
Log S (Ali)
-7.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.82
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10

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