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CAS 114746-70-2 (R)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid molecular structure lightbox
CAS RN: 114746-70-2

(R)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250511 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: LINR898166
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114746-70-2 / (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid

(4R)-2,2-DIMETHYL-1,3-DIOXOLANE-4-CARBOXYLIC ACID | RefChem:209115 | (r)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid

Standard CAS: 114746-70-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114746-70-2
Multi CAS
Yes
Molecular Formula
C6H10O4
Molecular Weight
146.140000
Exact Mass
146.057909
SMILES
CC1(OC[C@@H](O1)C(=O)O)C
InChI
InChI=1S/C6H10O4/c1-6(2)9-3-4(10-6)5(7)8/h4H,3H2,1-2H3,(H,7,8)/t4-/m1/s1
InChIKey
OZPFVBLDYBXHAF-SCSAIBSYSA-N
Synonyms
(4R)-2,2-DIMETHYL-1,3-DIOXOLANE-4-CARBOXYLIC ACID RefChem:209115 (r)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid 1,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-, (4R)- MFCD06203311

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.54
TPSA
55.76

LogP / Solubility

WLOGP
0.22
MLOGP
0.19
Consensus LogP
0.14
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.91
Class (SILICOS-IT)
Very 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)
-3.45

Drug-likeness / Medicinal Chemistry

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

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