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CAS 64317-66-4 CAP A molecular structure lightbox
CAS RN: 64317-66-4

CAP A

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250630 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS64317-66-4
  • Purity/Analytical Methods: >99.0%
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64317-66-4 / N-(13-methyltetradecyl)acetamide

Standard CAS: 64317-66-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64317-66-4
Multi CAS
No
Molecular Formula
C17H35NO
Molecular Weight
269.500000
Exact Mass
269.271865
InChI
InChI=1S/C17H35NO/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-18-17(3)19/h16H,4-15H2,1-3H3,(H,18,19)
InChIKey
AMLDBWWQKYLAHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.94
Rotatable bonds
13
H-bond acceptors
1
H-bond donors
1
Molar refractivity
84.31
TPSA
29.1

LogP / Solubility

WLOGP
5.07
MLOGP
4.47
XLogP3
6.5
Consensus LogP
5.35
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.18
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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