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CAS 98015-45-3 2-TERT-BUTYLIMINO-2-DIETHYLAMINO-1,3-DIMETHYL-PERHYDRO-1,3,2-DIAZAPHOSPHORINE molecular structure lightbox
CAS RN: 98015-45-3

2-TERT-BUTYLIMINO-2-DIETHYLAMINO-1,3-DIMETHYL-PERHYDRO-1,3,2-DIAZAPHOSPHORINE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251009 100mg In stock Shanghai Inquiry
Batchno.20260118 1g In stock Shanghai Inquiry
Batchno.20250706 250mg In stock Shanghai Inquiry
Batchno.20260605 5g In stock Shanghai Inquiry
  • Product code: SSC-212483
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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 98015-45-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

98015-45-3 / 2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2lambda5-diazaphosphinan-2-amine

Standard CAS: 98015-45-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98015-45-3
Multi CAS
Yes
Molecular Formula
C13H31N4P
Molecular Weight
274.390000
Exact Mass
274.228634
InChI
InChI=1S/C13H31N4P/c1-8-17(9-2)18(14-13(3,4)5)15(6)11-10-12-16(18)7/h8-12H2,1-7H3
InChIKey
VSCBATMPTLKTOV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
81.9
TPSA
22.08

LogP / Solubility

WLOGP
3.34
MLOGP
2.95
XLogP3
2.6
Consensus LogP
2.96
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02

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
1.5

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