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CAS 69648-38-0 (R)-BUTAPROST molecular structure lightbox
CAS RN: 69648-38-0

(R)-BUTAPROST

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260315 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS69648-38-0
  • Purity/Analytical Methods: >99.0%
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69648-38-0 / methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(4R)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxocyclopentyl]heptanoate

Standard CAS: 69648-38-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69648-38-0
Multi CAS
Yes
Molecular Formula
C24H40O5
Molecular Weight
408.600000
Exact Mass
408.287574
InChI
InChI=1S/C24H40O5/c1-3-14-24(15-9-16-24)22(27)12-8-11-19-18(20(25)17-21(19)26)10-6-4-5-7-13-23(28)29-2/h8,11,18-19,21-22,26-27H,3-7,9-10,12-17H2,1-2H3/b11-8+/t18-,19-,21-,22-/m1/s1
InChIKey
XRISENIKJUKIHD-LHQZMKCDSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.83
Rotatable bonds
13
H-bond acceptors
5
H-bond donors
2
Molar refractivity
113.28
TPSA
83.83

LogP / Solubility

WLOGP
4.34
MLOGP
3.85
XLogP3
4.2
Consensus LogP
4.13
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.48
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.13

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
4.5

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