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CAS 113278-68-5 (R)-(-)-2,2-DIMETHYL-5-OXO-1,3-DIOXOLANE-4-ACETIC ACID molecular structure lightbox
CAS RN: 113278-68-5

(R)-(-)-2,2-DIMETHYL-5-OXO-1,3-DIOXOLANE-4-ACETIC ACID

Product Availability

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9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251217 1g In stock Inquiry
Batchno.20260612 25g In stock Inquiry
Batchno.20250305 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260616 100g In stock Shanghai Inquiry
Batchno.20251005 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250401 1g / 5g / 25g Out of stock 30 business days Inquiry
Batchno.20260219 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250626 500g In stock Shanghai Inquiry
Batchno.20260311 5g In stock Shanghai, Shenzhen, Chengdu Inquiry
  • Product code: SSC-013431
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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: 5g
  • 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 113278-68-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

113278-68-5 / 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid

2,2-dimethyl-5-oxo-1,3-Dioxolane-4-acetic acid | 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid | 1,3-Dioxolane-4-acetic acid, 2,2-dimethyl-5-oxo-

Standard CAS: 113278-68-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
113278-68-5
Multi CAS
Yes
Molecular Formula
C7H10O5
Molecular Weight
174.150000
Exact Mass
174.052823
SMILES
CC1(O[C@@H](C(=O)O1)CC(=O)O)C
InChI
InChI=1S/C7H10O5/c1-7(2)11-4(3-5(8)9)6(10)12-7/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/s1
InChIKey
IDQOCLIWDMZKBZ-SCSAIBSYSA-N
Synonyms
2,2-dimethyl-5-oxo-1,3-Dioxolane-4-acetic acid 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid 1,3-Dioxolane-4-acetic acid, 2,2-dimethyl-5-oxo- (2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid NSC617398

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
37.3
TPSA
72.83

LogP / Solubility

WLOGP
0.14
MLOGP
0.12
Consensus LogP
0.09
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
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)
-3.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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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