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CAS 78613-35-1 Amorolfine molecular structure lightbox
CAS RN: 78613-35-1

Amorolfine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251115 25mg / 100mg / 500mg / 1g Confirm by inquiry Shanghai, Chongqing Inquiry
  • Product code: starshine_CAS78613-35-1
  • Purity/Analytical Methods: >99.0%
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78613-35-1 / 2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine

Standard CAS: 78613-35-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78613-35-1
Multi CAS
Yes
Molecular Formula
C21H35NO
Molecular Weight
317.500000
Exact Mass
317.271865
InChI
InChI=1S/C21H35NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H3
InChIKey
MQHLMHIZUIDKOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
99.08
TPSA
12.47

LogP / Solubility

WLOGP
4.66
MLOGP
4.12
XLogP3
5.7
Consensus LogP
4.83
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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