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CAS 34008-16-7 [2-(Diethoxy-phosphorylamino)-ethyl]-phosphoramidic acid diethyl ester molecular structure lightbox
CAS RN: 34008-16-7

[2-(Diethoxy-phosphorylamino)-ethyl]-phosphoramidic acid diethyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260330 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS34008-16-7
  • Purity/Analytical Methods: >99.0%
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34008-16-7 / N,N'-bis(diethoxyphosphoryl)ethane-1,2-diamine

Standard CAS: 34008-16-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34008-16-7
Multi CAS
No
Molecular Formula
C10H26N2O6P2
Molecular Weight
332.270000
Exact Mass
332.126611
InChI
InChI=1S/C10H26N2O6P2/c1-5-15-19(13,16-6-2)11-9-10-12-20(14,17-7-3)18-8-4/h5-10H2,1-4H3,(H,11,13)(H,12,14)
InChIKey
NGADUQWRPABXQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
2
Molar refractivity
77.72
TPSA
95.12

LogP / Solubility

WLOGP
2.53
MLOGP
2.24
XLogP3
-0.3
Consensus LogP
1.49
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95

Drug-likeness / Medicinal Chemistry

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

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