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CAS 67023-80-7 Ohchinin molecular structure lightbox
CAS RN: 67023-80-7

Ohchinin

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251028 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS67023-80-7
  • Purity/Analytical Methods: >99.0%
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67023-80-7 / [6-(furan-3-yl)-14-hydroxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] 3-phenylprop-2-enoate

Standard CAS: 67023-80-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67023-80-7
Multi CAS
Yes
Molecular Formula
C36H42O8
Molecular Weight
602.700000
Exact Mass
602.287968
InChI
InChI=1S/C36H42O8/c1-20-23(22-13-14-41-18-22)15-24-30(20)36(4)25(16-29(39)40-5)35(3)27(44-28(38)12-11-21-9-7-6-8-10-21)17-26(37)34(2)19-42-31(32(34)35)33(36)43-24/h6-14,18,23-27,31-33,37H,15-17,19H2,1-5H3/b12-11+/t23-,24-,25-,26-,27+,31-,32+,33-,34-,35+,36-/m1/s1
InChIKey
FCOMMYNXUJVOPV-VSCMBUAFSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
11
Fraction Csp3
0.56
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
1
Molar refractivity
161.08
TPSA
104.43

LogP / Solubility

WLOGP
5.47
MLOGP
4.86
XLogP3
4.2
Consensus LogP
4.84
Log S (ESOL)
-6.81
Class (ESOL)
Insoluble
Log S (Ali)
-8.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.84
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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