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CAS 18680-27-8 (1S,2S,3R,5S)-(+)-2,3-Pinanediol molecular structure lightbox
CAS RN: 18680-27-8

(1S,2S,3R,5S)-(+)-2,3-Pinanediol

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260518 100g In stock Shanghai, Chongqing Inquiry
Batchno.20250620 1g In stock Shanghai, Shandong Inquiry
Batchno.20260110 250mg In stock Shandong Inquiry
Batchno.20250307 25g In stock Shanghai, Hebei Inquiry
Batchno.20250322 500g Out of stock 5-7 business days Inquiry
Batchno.20250731 5g In stock Shanghai Inquiry
  • Product code: SSC-086828
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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: 5g, 10g, 25g, 1g, 100g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 18680-27-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
10g >97% 5 In Stock Hong Kong Inquiry
25g >97% 3 In Stock Shanghai Inquiry
1g >97% 2 In Stock Beijing Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry
500g >97% 0 Out of Stock Hong Kong Inquiry

18680-27-8 / (1S,2S,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol

Standard CAS: 18680-27-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18680-27-8
Multi CAS
No
Molecular Formula
C10H18O2
Molecular Weight
170.250000
Exact Mass
170.130680
SMILES
C[C@@]1([C@H]2C[C@H](C2(C)C)C[C@H]1O)O
InChI
InChI=1S/C10H18O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7-,8+,10-/m0/s1
InChIKey
MOILFCKRQFQVFS-OORONAJNSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.63
TPSA
40.46

LogP / Solubility

WLOGP
1.16
MLOGP
1.02
XLogP3
1.1
Consensus LogP
1.09
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
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)
-2.93

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
H302 (10%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (10%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (10%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (10%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H412 (60%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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