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CAS 1196-00-5 (-)-ISOPINOCAMPHEOL molecular structure lightbox
CAS RN: 1196-00-5

(-)-ISOPINOCAMPHEOL

  • Product code: SSC-020136
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 7
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1196-00-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g -- 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g -- 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry
5g -- 0 Out of Stock Shenzhen Inquiry

1196-00-5 / (1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol

(+)-Isopinocampheol | (1S-(1alpha,2beta,3alpha,5alpha))-2,6,6-Trimethylbicyclo(3.1.1)heptan-3-ol | RefChem:1048958

Standard CAS: 1196-00-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1196-00-5
Multi CAS
Yes
Molecular Formula
C10H18O
Molecular Weight
154.250000
Exact Mass
154.135765
SMILES
C[C@@H]1[C@H]2C[C@H](C2(C)C)C[C@H]1O
InChI
InChI=1S/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7+,8-,9-/m1/s1
InChIKey
REPVLJRCJUVQFA-BZNPZCIMSA-N
Synonyms
(+)-Isopinocampheol (1S-(1alpha,2beta,3alpha,5alpha))-2,6,6-Trimethylbicyclo(3.1.1)heptan-3-ol RefChem:1048958 245-998-0 (1S,2S,3S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptan-3-ol

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.17
TPSA
20.23

LogP / Solubility

WLOGP
2.05
MLOGP
1.8
XLogP3
2.6
Consensus LogP
2.15
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-2.21

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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