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CAS 93413-76-4 (1-Hydroxycyclohexyl)(4-methoxyphenyl)acetonitrile molecular structure lightbox
CAS RN: 93413-76-4

(1-Hydroxycyclohexyl)(4-methoxyphenyl)acetonitrile

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250403 1g In stock Inquiry
Batchno.20250817 250mg In stock Inquiry
Batchno.20250405 5g In stock Inquiry
  • Product code: SSC-207603
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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: ≥97%
  • 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 93413-76-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

93413-76-4 / 2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile

Standard CAS: 93413-76-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
93413-76-4
Multi CAS
Yes
Molecular Formula
C15H19NO2
Molecular Weight
245.320000
Exact Mass
245.141579
InChI
InChI=1S/C15H19NO2/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-10H2,1H3
InChIKey
ASYJSBPNAIDUHX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.38
TPSA
53.25

LogP / Solubility

WLOGP
3
MLOGP
2.64
XLogP3
3.1
Consensus LogP
2.91
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly 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)
-2.09

Drug-likeness / Medicinal Chemistry

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

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