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CAS 102045-96-5 (S)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid molecular structure lightbox
CAS RN: 102045-96-5

(S)-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.20250111 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-003289
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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: 1g
  • 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 102045-96-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

102045-96-5 / (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid

2,2-dimethyl-1,3-dioxolane-4-carboxylic Acid | DTXSID80977665 | RefChem:1059104

Standard CAS: 102045-96-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
102045-96-5
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-/m0/s1
InChIKey
OZPFVBLDYBXHAF-BYPYZUCNSA-N
Synonyms
2,2-dimethyl-1,3-dioxolane-4-carboxylic Acid DTXSID80977665 RefChem:1059104 DTXCID10872710 MFCD09743879

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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