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CAS 481631-45-2 DIAPLASININ molecular structure lightbox
CAS RN: 481631-45-2

DIAPLASININ

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251029 1mg In stock Inquiry
Batchno.20250604 25mg In stock Inquiry
Batchno.20250707 5mg In stock Inquiry
  • Product code: starshine_CAS481631-45-2
  • Purity/Analytical Methods: >99.0%
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481631-45-2 / 1-benzyl-3-pentyl-2-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]indole

Standard CAS: 481631-45-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
481631-45-2
Multi CAS
Yes
Molecular Formula
C32H31N5O
Molecular Weight
501.600000
Exact Mass
501.252861
InChI
InChI=1S/C32H31N5O/c1-2-3-5-13-29-28-12-8-9-14-30(28)37(21-23-10-6-4-7-11-23)32(29)26-16-15-25-20-27(18-17-24(25)19-26)38-22-31-33-35-36-34-31/h4,6-12,14-20H,2-3,5,13,21-22H2,1H3,(H,33,34,35,36)
InChIKey
BDPXZFKVHDEPIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
30
Fraction Csp3
0.22
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
1
Molar refractivity
152.16
TPSA
68.62

LogP / Solubility

WLOGP
7.33
MLOGP
6.49
XLogP3
8
Consensus LogP
7.27
Log S (ESOL)
-7.5
Class (ESOL)
Insoluble
Log S (Ali)
-8.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.21
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.57

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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