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CAS 767291-67-8 (1S,2S)-N,N’-Dimethyl-N,N’-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine molecular structure lightbox
CAS RN: 767291-67-8

(1S,2S)-N,N’-Dimethyl-N,N’-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine

Product Availability

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8 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260429 1g In stock Inquiry
Batchno.20260202 250mg In stock Inquiry
Batchno.20260622 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251205 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250303 10g Out of stock Inquiry
Batchno.20250309 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260201 250mg In stock Shanghai Inquiry
Batchno.20251207 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-186159
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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 767291-67-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

767291-67-8 / trans-(1S,2S)-1-N,2-N-bis(3,3-dimethylbutyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine

Standard CAS: 767291-67-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
767291-67-8
Multi CAS
Yes
Molecular Formula
C20H42N2
Molecular Weight
310.600000
Exact Mass
310.334799
InChI
InChI=1S/C20H42N2/c1-19(2,3)13-15-21(7)17-11-9-10-12-18(17)22(8)16-14-20(4,5)6/h17-18H,9-16H2,1-8H3/t17-,18-/m0/s1
InChIKey
VGCWVKVNKNXOGZ-ROUUACIJSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
99.45
TPSA
6.48

LogP / Solubility

WLOGP
5.03
MLOGP
4.44
XLogP3
5.8
Consensus LogP
5.09
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.58
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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