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CAS 35954-65-5 (3aR)-2-Methyl-5α-(acetoxymethyl)-6β,7α-diacetoxy-3aα,6,7,7aα-tetrahydro-5H-pyrano[3,2-d]oxazole molecular structure lightbox
CAS RN: 35954-65-5

(3aR)-2-Methyl-5α-(acetoxymethyl)-6β,7α-diacetoxy-3aα,6,7,7aα-tetrahydro-5H-pyrano[3,2-d]oxazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250902 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-143021
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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: 0.25g
  • 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 35954-65-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

35954-65-5 / (6,7-diacetyloxy-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate

Standard CAS: 35954-65-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35954-65-5
Multi CAS
Yes
Molecular Formula
C14H19NO8
Molecular Weight
329.300000
Exact Mass
329.111067
InChI
InChI=1S/C14H19NO8/c1-6-15-11-13(22-9(4)18)12(21-8(3)17)10(5-19-7(2)16)23-14(11)20-6/h10-14H,5H2,1-4H3/t10-,11-,12-,13-,14+/m1/s1
InChIKey
WZFQZRLQMXZMJA-KSTCHIGDSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
9
Molar refractivity
74.38
TPSA
109.72

LogP / Solubility

WLOGP
-0.04
MLOGP
-0.02
XLogP3
-0.5
Consensus LogP
-0.19
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5

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