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CAS 84567-08-8 4-Hydroxycephalotaxine molecular structure lightbox
CAS RN: 84567-08-8

4-Hydroxycephalotaxine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251004 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS84567-08-8
  • Purity/Analytical Methods: >99.0%
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84567-08-8 / 4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraene-2,3-diol

Standard CAS: 84567-08-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84567-08-8
Multi CAS
Yes
Molecular Formula
C18H21NO5
Molecular Weight
331.400000
Exact Mass
331.141973
InChI
InChI=1S/C18H21NO5/c1-22-15-9-17-4-2-5-19(17)6-3-11-7-13-14(24-10-23-13)8-12(11)18(17,21)16(15)20/h7-9,16,20-21H,2-6,10H2,1H3
InChIKey
MVSKPPYUIBULOR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
84.8
TPSA
71.39

LogP / Solubility

WLOGP
0.9
MLOGP
0.81
XLogP3
0.4
Consensus LogP
0.7
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6

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