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CAS 103729-96-0 (2S)-(-)-3-exo-(DiMethylaMino)isonorborneol molecular structure lightbox
CAS RN: 103729-96-0

(2S)-(-)-3-exo-(DiMethylaMino)isonorborneol

  • Product code: SSC-005336
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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: 0.25g
  • 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 103729-96-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

103729-96-0 / (1R,2S,3R,4S)-3-(dimethylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

2-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol | SCHEMBL312848 | SY345779

Standard CAS: 103729-96-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103729-96-0
Multi CAS
Yes
Molecular Formula
C12H23NO
Molecular Weight
197.320000
Exact Mass
197.177964
SMILES
C[C@@]12CC[C@@H](C1(C)C)[C@H]([C@H]2O)N(C)C
InChI
InChI=1S/C12H23NO/c1-11(2)8-6-7-12(11,3)10(14)9(8)13(4)5/h8-10,14H,6-7H2,1-5H3/t8-,9-,10-,12+/m1/s1
InChIKey
ZDEYHASQASZDRQ-BFLSOPEQSA-N
Synonyms
2-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol SCHEMBL312848 SY345779 Q150508

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.09
TPSA
23.47

LogP / Solubility

WLOGP
1.73
MLOGP
1.53
XLogP3
2.1
Consensus LogP
1.79
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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