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CAS 35000-37-4 (TERT-BUTOXYCARBONYLMETHYL)TRIPHENYLPHOSPHONIUM CHLORIDE molecular structure lightbox
CAS RN: 35000-37-4

(TERT-BUTOXYCARBONYLMETHYL)TRIPHENYLPHOSPHONIUM CHLORIDE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250318 100g In stock Shenzhen Inquiry
Batchno.20251024 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260613 25g In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260123 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-141714
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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
  • 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 35000-37-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

35000-37-4 / [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-triphenylphosphanium chloride

Standard CAS: 35000-37-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35000-37-4
Multi CAS
Yes
Molecular Formula
C24H26CLO2P
Molecular Weight
412.900000
Exact Mass
412.135895
InChI
InChI=1S/C24H26O2P.ClH/c1-24(2,3)26-23(25)19-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,19H2,1-3H3;1H/q+1;/p-1
InChIKey
PWEGQXPODNSKMU-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
115.86
TPSA
26.3

LogP / Solubility

WLOGP
1.33
MLOGP
1.19
XLogP3
1.33
Consensus LogP
1.28
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly 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)
-4.3

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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