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CAS 1330756-34-7 6,6-dimethyl-4-azepanol molecular structure lightbox
CAS RN: 1330756-34-7

6,6-dimethyl-4-azepanol

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4 package records0 with current stock1 grade group
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Batchno.20250829 100mg Out of stock Inquiry
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  • Product code: starshine_CAS1330756-34-7
  • Purity/Analytical Methods: >99.0%
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1330756-34-7 / 6,6-dimethylazepan-4-ol

Standard CAS: 1330756-34-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1330756-34-7
Multi CAS
No
Molecular Formula
C8H17NO
Molecular Weight
143.230000
Exact Mass
143.131014
SMILES
CC1(CC(CCNC1)O)C
InChI
InChI=1S/C8H17NO/c1-8(2)5-7(10)3-4-9-6-8/h7,9-10H,3-6H2,1-2H3
InChIKey
DTXHKDCPGXNTJX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.89
TPSA
32.26

LogP / Solubility

WLOGP
0.76
MLOGP
0.66
XLogP3
0.9
Consensus LogP
0.77
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
Class (SILICOS-IT)
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)
-3.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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