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CAS 421583-14-4 Cephalocyclidin A molecular structure lightbox
CAS RN: 421583-14-4

Cephalocyclidin A

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250406 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS421583-14-4
  • Purity/Analytical Methods: >99.0%
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421583-14-4 / 16,18-dioxa-4-azahexacyclo[11.7.0.02,9.04,8.08,12.015,19]icosa-1(20),13,15(19)-triene-2,10,11-triol

Standard CAS: 421583-14-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
421583-14-4
Multi CAS
Yes
Molecular Formula
C17H19NO5
Molecular Weight
317.340000
Exact Mass
317.126323
InChI
InChI=1S/C17H19NO5/c19-13-12-8-4-10-11(23-7-22-10)5-9(8)17(21)6-18-3-1-2-16(12,18)15(17)14(13)20/h4-5,12-15,19-21H,1-3,6-7H2
InChIKey
HZSAQOVOGNCGNL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.65
H-bond acceptors
6
H-bond donors
3
Molar refractivity
78.24
TPSA
82.39

LogP / Solubility

WLOGP
-0.1
MLOGP
-0.07
XLogP3
-0.5
Consensus LogP
-0.22
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
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)
-4.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
10

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