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CAS 76215-53-7 Piptocarphin F molecular structure lightbox
CAS RN: 76215-53-7

Piptocarphin F

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251012 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS76215-53-7
  • Purity/Analytical Methods: >99.0%
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76215-53-7 / [6-(ethoxymethyl)-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: 76215-53-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76215-53-7
Multi CAS
Yes
Molecular Formula
C21H28O8
Molecular Weight
408.400000
Exact Mass
408.178418
InChI
InChI=1S/C21H28O8/c1-6-26-11-13-16-14(28-18(13)23)9-19(4)7-8-21(25,29-19)20(5,24)10-15(16)27-17(22)12(2)3/h9,15,24-25H,2,6-8,10-11H2,1,3-5H3/b14-9+/t15-,19-,20-,21+/m1/s1
InChIKey
UBMOPFJLLXVNIM-ZUQHRPQWSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
2
Molar refractivity
101.3
TPSA
111.52

LogP / Solubility

WLOGP
1.66
MLOGP
1.49
XLogP3
0.4
Consensus LogP
1.18
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly 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)
-4.03

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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