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CAS 78385-36-1 (Benzyloxycarbonylmethyl)triphenylphosphonium bromide molecular structure lightbox
CAS RN: 78385-36-1

(Benzyloxycarbonylmethyl)triphenylphosphonium bromide

Product Availability

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7 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250427 100g In stock Inquiry
Batchno.20250722 1g In stock Inquiry
Batchno.20250802 25g In stock Inquiry
Batchno.20250109 5g In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250102 100g Out of stock Inquiry
Batchno.20260523 10g Out of stock Inquiry
Batchno.20260422 25g Out of stock Inquiry
  • Product code: SSC-187798
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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: 10g
  • 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 78385-36-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

78385-36-1 / (2-oxo-2-phenylmethoxyethyl)-triphenylphosphanium bromide

Standard CAS: 78385-36-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78385-36-1
Multi CAS
Yes
Molecular Formula
C27H24BRO2P
Molecular Weight
491.400000
Exact Mass
490.069730
InChI
InChI=1S/C27H24O2P.BrH/c28-27(29-21-23-13-5-1-6-14-23)22-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20H,21-22H2;1H/q+1;/p-1
InChIKey
AVQABZVTPWROCF-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
24
Fraction Csp3
0.07
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
126.25
TPSA
26.3

LogP / Solubility

WLOGP
1.73
MLOGP
1.56
XLogP3
1.73
Consensus LogP
1.67
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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