[email protected]
CAS 115509-13-2 (-)-(3AR,6AR)-3A,6A-DIHYDRO-2,2-DIMETHYL-4H-CYCLOPENTA-1,3-DIOXOL-4-ONE molecular structure lightbox
CAS RN: 115509-13-2

(-)-(3AR,6AR)-3A,6A-DIHYDRO-2,2-DIMETHYL-4H-CYCLOPENTA-1,3-DIOXOL-4-ONE

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260203 100g Out of stock Inquiry
Batchno.20251228 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260509 25g Out of stock Inquiry
Batchno.20250809 5g In stock Chengdu Inquiry
Batchno.20251028 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-015276
GET A QUOTE
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: 0.25g, 1g, 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 115509-13-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry
100g >97% 0 Out of Stock Beijing Inquiry

115509-13-2 / (3aR,6aR)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one

RefChem:400626 | (3aS,6aS)-3a,6a-Dihydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-one | 827-279-9

Standard CAS: 115509-13-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115509-13-2
Multi CAS
Yes
Molecular Formula
C8H10O3
Molecular Weight
154.160000
Exact Mass
154.062994
SMILES
CC1(O[C@@H]2C=CC(=O)[C@@H]2O1)C
InChI
InChI=1S/C8H10O3/c1-8(2)10-6-4-3-5(9)7(6)11-8/h3-4,6-7H,1-2H3/t6-,7+/m1/s1
InChIKey
UWXUDHGKUWPPGB-RQJHMYQMSA-N
Synonyms
RefChem:400626 (3aS,6aS)-3a,6a-Dihydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-one 827-279-9 (+)-(3aS,6aS)-3a,6a-Dihydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-one (3aS,6aS)-2,2-dimethyl-3aH-cyclopenta[d][1,3]dioxol-4(6aH)-one

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.62
H-bond acceptors
3
Molar refractivity
37.97
TPSA
35.53

LogP / Solubility

WLOGP
0.65
MLOGP
0.56
XLogP3
0.4
Consensus LogP
0.54
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
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)
-3.2

Drug-likeness / Medicinal Chemistry

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

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

Customers Also Viewed

Get In Touch

Contact Us