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CAS 319491-68-4 N-Des[2-(1-methyl-2-pyrrolidinyl)ethyl] Udenafil molecular structure lightbox
CAS RN: 319491-68-4

N-Des[2-(1-methyl-2-pyrrolidinyl)ethyl] Udenafil

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260613 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS319491-68-4
  • Purity/Analytical Methods: >99.0%
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319491-68-4 / 3-(1-methyl-7-oxo-3-propyl-7aH-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide

Standard CAS: 319491-68-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
319491-68-4
Multi CAS
Yes
Molecular Formula
C18H23N5O4S
Molecular Weight
405.500000
Exact Mass
405.147075
InChI
InChI=1S/C18H23N5O4S/c1-4-6-13-15-16(23(3)22-13)18(24)21-17(20-15)12-10-11(28(19,25)26)7-8-14(12)27-9-5-2/h7-8,10H,4-6,9H2,1-3H3,(H2,19,25,26)(H,20,21,24)
InChIKey
WQAFYWMRZOZKJD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
1
Molar refractivity
106.47
TPSA
126.78

LogP / Solubility

WLOGP
1.32
MLOGP
1.19
XLogP3
1.6
Consensus LogP
1.37
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
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)
-4.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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