CAS RN: 11028-77-6

CORYSAMINE CHLORIDE(RG)

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Batchno.20251102 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS11028-77-6
  • Purity/Analytical Methods: >99.0%
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11028-77-6 / 24-methyl-5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene chloride

Corysamine chloride | Corysamine (chloride) | CORYSAMINE CHLORIDE(RG)

Standard CAS: 11028-77-6 Multi CAS: No

Basic Information

CAS
11028-77-6
Multi CAS
No
Molecular Formula
C20H16ClNO4
Molecular Weight
369.800000
Exact Mass
369.076786
SMILES
CC1=C2C=CC3=C(C2=C[N+]4=C1C5=CC6=C(C=C5CC4)OCO6)OCO3.[Cl-]
InChI
InChI=1S/C20H16NO4.ClH/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21;/h2-3,6-8H,4-5,9-10H2,1H3;1H/q+1;/p-1
InChIKey
WMUNRKMYZOSRSH-UHFFFAOYSA-M
Synonyms
Corysamine chloride Corysamine (chloride) CORYSAMINE CHLORIDE(RG) orb1296969 CHEMBL3331118

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.25
H-bond acceptors
4
Molar refractivity
90.27
TPSA
40.8

LogP / Solubility

WLOGP
0.12
MLOGP
0.13
XLogP3
0.12
Consensus LogP
0.12
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-4.89

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
4

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