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CAS 31139-36-3 Dibenzyl Dicarbonate molecular structure lightbox
CAS RN: 31139-36-3

Dibenzyl Dicarbonate

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250821 1g In stock Inquiry
Batchno.20260110 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
Batchno.20250420 25g Out of stock Inquiry
Batchno.20250801 5g Out of stock Inquiry
  • Product code: SSC-136400
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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: 5g, 10g, 25g
  • 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 31139-36-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

31139-36-3 / benzyl phenylmethoxycarbonyl carbonate

Standard CAS: 31139-36-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31139-36-3
Multi CAS
Yes
Molecular Formula
C16H14O5
Molecular Weight
286.280000
Exact Mass
286.084124
InChI
InChI=1S/C16H14O5/c17-15(19-11-13-7-3-1-4-8-13)21-16(18)20-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
FHRRJZZGSJXPRQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
74.34
TPSA
61.83

LogP / Solubility

WLOGP
3.68
MLOGP
3.25
XLogP3
3.7
Consensus LogP
3.54
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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