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CAS 6792-07-0 17-Hydroxy-4α-methylsarpagan-4-ium molecular structure lightbox
CAS RN: 6792-07-0

17-Hydroxy-4α-methylsarpagan-4-ium

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251222 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS6792-07-0
  • Purity/Analytical Methods: >99.0%
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6792-07-0 / (15-ethylidene-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl)methanol

Standard CAS: 6792-07-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6792-07-0
Multi CAS
Yes
Molecular Formula
C20H25N2O
Molecular Weight
309.400000
Exact Mass
309.196688
InChI
InChI=1S/C20H25N2O/c1-3-12-10-22(2)18-9-15-13-6-4-5-7-17(13)21-20(15)19(22)8-14(12)16(18)11-23/h3-7,14,16,18-19,21,23H,8-11H2,1-2H3/q+1
InChIKey
KRTATNOTKFNEFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
92.02
TPSA
36.02

LogP / Solubility

WLOGP
3.17
MLOGP
2.8
XLogP3
2.1
Consensus LogP
2.69
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
10

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