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CAS 211638-02-7 1-(Diphenylphosphino)-N,N-dimethyl-2-propanamine molecular structure lightbox
CAS RN: 211638-02-7

1-(Diphenylphosphino)-N,N-dimethyl-2-propanamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250923 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-101097
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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 211638-02-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

211638-02-7 / 1-diphenylphosphanyl-N,N-dimethylpropan-2-amine

Standard CAS: 211638-02-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
211638-02-7
Multi CAS
No
Molecular Formula
C17H22NP
Molecular Weight
271.340000
Exact Mass
271.148987
SMILES
CC(CP(C1=CC=CC=C1)C2=CC=CC=C2)N(C)C
InChI
InChI=1S/C17H22NP/c1-15(18(2)3)14-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3
InChIKey
UWEBDCWURVZJOK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
87.09
TPSA
3.24

LogP / Solubility

WLOGP
3.07
MLOGP
2.71
XLogP3
3.5
Consensus LogP
3.09
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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