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CAS 5633-20-5 Oxybutynin molecular structure lightbox
CAS RN: 5633-20-5

Oxybutynin

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9 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250609 250mg / 1g / 5g Confirm by inquiry Shandong, Shanghai Inquiry
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Batchno.20251123 100mg In stock Shanghai Inquiry
Batchno.20260429 1g In stock Shanghai Inquiry
Batchno.20250402 250mg In stock Shanghai Inquiry
Batchno.20260417 25g In stock Shanghai Inquiry
Batchno.20250425 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250730 1g In stock Inquiry
Batchno.20260505 250mg In stock Inquiry
Batchno.20250623 5g Out of stock Inquiry
  • Product code: starshine_CAS5633-20-5
  • Purity/Analytical Methods: >99.0%
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5633-20-5 / 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

Standard CAS: 5633-20-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5633-20-5
Multi CAS
Yes
Molecular Formula
C22H31NO3
Molecular Weight
357.500000
Exact Mass
357.230394
InChI
InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3
InChIKey
XIQVNETUBQGFHX-UHFFFAOYSA-N

Physical Properties

Melting Point
122-124 CRYSTALS; MP: 129-130 °C /CHLORIDE/ 129 - 130 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
103.44
TPSA
49.77

LogP / Solubility

WLOGP
3.34
MLOGP
2.96
XLogP3
4.2
Consensus LogP
3.5
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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