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CAS 672937-61-0 1-Phenyl-2-(di-tert.-butyl-phosphino)-1H-pyrrole molecular structure lightbox
CAS RN: 672937-61-0

1-Phenyl-2-(di-tert.-butyl-phosphino)-1H-pyrrole

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260515 100mg In stock Shanghai Inquiry
Batchno.20250606 1g In stock Shanghai Inquiry
Batchno.20250401 250mg In stock Shanghai Inquiry
  • Product code: SSC-176994
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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 672937-61-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

672937-61-0 / ditert-butyl-(1-phenylpyrrol-2-yl)phosphane

Standard CAS: 672937-61-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
672937-61-0
Multi CAS
No
Molecular Formula
C18H26NP
Molecular Weight
287.400000
Exact Mass
287.180287
InChI
InChI=1S/C18H26NP/c1-17(2,3)20(18(4,5)6)16-13-10-14-19(16)15-11-8-7-9-12-15/h7-14H,1-6H3
InChIKey
DVVDGSKDQGMLPW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
91.83
TPSA
4.93

LogP / Solubility

WLOGP
5.18
MLOGP
4.57
XLogP3
4.2
Consensus LogP
4.65
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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