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CAS 158747-10-5 4-(METHYLAMINO)CYCLOHEXANONE 2 2-DIMETH& molecular structure lightbox
CAS RN: 158747-10-5

4-(METHYLAMINO)CYCLOHEXANONE 2 2-DIMETH&

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250727 1g In stock Shanghai Inquiry
Batchno.20250803 1g / 5g / 25g Out of stock 5-7 business days Inquiry
Batchno.20250930 25g In stock Shanghai Inquiry
Batchno.20250725 5g In stock Shanghai Inquiry
  • Product code: SSC-066972
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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: ≥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 158747-10-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

158747-10-5 / N,3,3-trimethyl-1,5-dioxaspiro[5.5]undecan-9-amine;hydrochloride

Standard CAS: 158747-10-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
158747-10-5
Multi CAS
No
Molecular Formula
C12H24ClNO2
Molecular Weight
249.780000
Exact Mass
249.149557
SMILES
CC1(COC2(CCC(CC2)NC)OC1)C.Cl
InChI
InChI=1S/C12H23NO2.ClH/c1-11(2)8-14-12(15-9-11)6-4-10(13-3)5-7-12;/h10,13H,4-9H2,1-3H3;1H
InChIKey
SUTDEUGEHVLMEF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.98
TPSA
30.49

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
2.34
Consensus LogP
2.25
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly 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)
-2.58

Drug-likeness / Medicinal Chemistry

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

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