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CAS 309-29-5 Doxapram molecular structure lightbox
CAS RN: 309-29-5

Doxapram

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260521 10mg / 50mg / 250mg Confirm by inquiry Shanghai 5-7 business days Inquiry
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Batchno.20250703 1ml In stock Inquiry
  • Product code: starshine_CAS309-29-5
  • Purity/Analytical Methods: >99.0%
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309-29-5 / 1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one

Standard CAS: 309-29-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
309-29-5
Multi CAS
Yes
Molecular Formula
C24H30N2O2
Molecular Weight
378.500000
Exact Mass
378.230728
InChI
InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3
InChIKey
XFDJYSQDBULQSI-UHFFFAOYSA-N

Physical Properties

Melting Point
217-219 MP: 123-124 °C /BENZOATE/
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
111.28
TPSA
32.78

LogP / Solubility

WLOGP
3.17
MLOGP
2.81
XLogP3
3.3
Consensus LogP
3.09
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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