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CAS 76248-63-0 Piptocarphin A molecular structure lightbox
CAS RN: 76248-63-0

Piptocarphin A

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251029 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS76248-63-0
  • Purity/Analytical Methods: >99.0%
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76248-63-0 / [6-(acetyloxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate

Standard CAS: 76248-63-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76248-63-0
Multi CAS
Yes
Molecular Formula
C21H26O9
Molecular Weight
422.400000
Exact Mass
422.157682
InChI
InChI=1S/C21H26O9/c1-11(2)17(23)28-15-9-20(5,25)21(26)7-6-19(4,30-21)8-14-16(15)13(18(24)29-14)10-27-12(3)22/h8,15,25-26H,1,6-7,9-10H2,2-5H3
InChIKey
BZQDHZDSIXPDSS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
2
Molar refractivity
101.44
TPSA
128.59

LogP / Solubility

WLOGP
1.19
MLOGP
1.07
XLogP3
0.1
Consensus LogP
0.79
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

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