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CAS 99799-10-7 3-METHOXYCYCLOHEXANECARBOXYLIC ACID molecular structure lightbox
CAS RN: 99799-10-7

3-METHOXYCYCLOHEXANECARBOXYLIC ACID

  • Product code: SSC-213341
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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: 1g
  • 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 99799-10-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

99799-10-7 / 3-methoxycyclohexane-1-carboxylic acid

Standard CAS: 99799-10-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99799-10-7
Multi CAS
Yes
Molecular Formula
C8H14O3
Molecular Weight
158.190000
Exact Mass
158.094294
InChI
InChI=1S/C8H14O3/c1-11-7-4-2-3-6(5-7)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKey
KAWNRNMMEKTYGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.39
TPSA
46.53

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
0.9
Consensus LogP
1.1
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
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)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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