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CAS 29949-69-7 Chloro(tert-butyl)phenylphosphine molecular structure lightbox
CAS RN: 29949-69-7

Chloro(tert-butyl)phenylphosphine

  • Product code: SSC-133372
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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 29949-69-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

29949-69-7 / tert-butyl-chloro-phenylphosphane

Standard CAS: 29949-69-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29949-69-7
Multi CAS
Yes
Molecular Formula
C10H14CLP
Molecular Weight
200.640000
Exact Mass
200.052165
InChI
InChI=1S/C10H14ClP/c1-10(2,3)12(11)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey
XOQDDCZARYSQNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
Molar refractivity
58.6
TPSA
0.0000

LogP / Solubility

WLOGP
3.75
MLOGP
3.3
XLogP3
3.3
Consensus LogP
3.45
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly 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)
-1.28

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
2

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