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CAS 546141-24-6 D-glycero-D-gulo-Dec-1-enitol, 4,7-anhydro-1,2,3,8-tetradeoxy-6-O-(phenylmethyl)-, 9,10-dibenzoate molecular structure lightbox
CAS RN: 546141-24-6

D-glycero-D-gulo-Dec-1-enitol, 4,7-anhydro-1,2,3,8-tetradeoxy-6-O-(phenylmethyl)-, 9,10-dibenzoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250817 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-162356
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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 546141-24-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

546141-24-6 / [(2S)-2-benzoyloxy-3-[(2R,3R,4S,5S)-4-hydroxy-3-phenylmethoxy-5-prop-2-enyloxolan-2-yl]propyl] benzoate

Standard CAS: 546141-24-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
546141-24-6
Multi CAS
Yes
Molecular Formula
C31H32O7
Molecular Weight
516.600000
Exact Mass
516.214803
InChI
InChI=1S/C31H32O7/c1-2-12-26-28(32)29(35-20-22-13-6-3-7-14-22)27(38-26)19-25(37-31(34)24-17-10-5-11-18-24)21-36-30(33)23-15-8-4-9-16-23/h2-11,13-18,25-29,32H,1,12,19-21H2/t25-,26-,27+,28-,29-/m0/s1
InChIKey
QIGSQMHFQOMPTC-YTRKHUOHSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.29
Rotatable bonds
12
H-bond acceptors
7
H-bond donors
1
Molar refractivity
141.49
TPSA
91.29

LogP / Solubility

WLOGP
4.75
MLOGP
4.22
XLogP3
5.4
Consensus LogP
4.79
Log S (ESOL)
-5.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.4
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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