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CAS 72814-32-5 BW 245C molecular structure lightbox
CAS RN: 72814-32-5

BW 245C

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260505 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS72814-32-5
  • Purity/Analytical Methods: >99.0%
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72814-32-5 / 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid

Standard CAS: 72814-32-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72814-32-5
Multi CAS
Yes
Molecular Formula
C19H32N2O5
Molecular Weight
368.500000
Exact Mass
368.231122
InChI
InChI=1S/C19H32N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h14-16,22H,1-13H2,(H,23,24)(H,20,25,26)
InChIKey
ZIDQIOZJEJFMOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.84
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
3
Molar refractivity
96.57
TPSA
106.94

LogP / Solubility

WLOGP
2.66
MLOGP
2.36
XLogP3
2.9
Consensus LogP
2.64
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.59
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
Yes
Log Kp (skin permeation)
-3.08

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
3.5

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