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CAS 99175-40-3 CHEMBRDG-BB 6599784 molecular structure lightbox
CAS RN: 99175-40-3

CHEMBRDG-BB 6599784

  • Product code: SSC-213022
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 99175-40-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

99175-40-3 / N-(cyclopropylmethyl)cyclohexanamine

Standard CAS: 99175-40-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
99175-40-3
Multi CAS
No
Molecular Formula
C10H19N
Molecular Weight
153.260000
Exact Mass
153.151750
InChI
InChI=1S/C10H19N/c1-2-4-10(5-3-1)11-8-9-6-7-9/h9-11H,1-8H2
InChIKey
RMFCJWJCNWJMMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.6
TPSA
12.03

LogP / Solubility

WLOGP
2.32
MLOGP
2.03
XLogP3
2.4
Consensus LogP
2.25
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.01

Drug-likeness / Medicinal Chemistry

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

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