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CAS 38410-80-9 METHYL (4S)-TRANS-2,2,5-TRIMETHYL-1,3-DIOXOLANE-4-CARBOXYLATE molecular structure lightbox
CAS RN: 38410-80-9

METHYL (4S)-TRANS-2,2,5-TRIMETHYL-1,3-DIOXOLANE-4-CARBOXYLATE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250630 1g In stock Shanghai Inquiry
Batchno.20250418 25g In stock Shanghai Inquiry
Batchno.20260306 5g In stock Shanghai Inquiry
  • Product code: SSC-146047
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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: ＞97%
  • 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 38410-80-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

38410-80-9 / methyl (4S,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate

Standard CAS: 38410-80-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
38410-80-9
Multi CAS
Yes
Molecular Formula
C8H14O4
Molecular Weight
174.190000
Exact Mass
174.089209
InChI
InChI=1S/C8H14O4/c1-5-6(7(9)10-4)12-8(2,3)11-5/h5-6H,1-4H3/t5-,6+/m1/s1
InChIKey
AELKYRWKHKGMAD-RITPCOANSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
41.52
TPSA
44.76

LogP / Solubility

WLOGP
0.7
MLOGP
0.61
XLogP3
0.8
Consensus LogP
0.7
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-3.29

Drug-likeness / Medicinal Chemistry

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

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