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CAS 1493762-74-5 BM635 molecular structure lightbox
CAS RN: 1493762-74-5

BM635

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260315 5mg / 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1493762-74-5
  • Purity/Analytical Methods: >99.0%
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1493762-74-5 / 4-[[1-(4-fluorophenyl)-2-methyl-5-(4-propan-2-ylphenyl)pyrrol-3-yl]methyl]morpholine

Standard CAS: 1493762-74-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1493762-74-5
Multi CAS
No
Molecular Formula
C25H29FN2O
Molecular Weight
392.500000
Exact Mass
392.226392
SMILES
CC1=C(C=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)C(C)C)CN4CCOCC4
InChI
InChI=1S/C25H29FN2O/c1-18(2)20-4-6-21(7-5-20)25-16-22(17-27-12-14-29-15-13-27)19(3)28(25)24-10-8-23(26)9-11-24/h4-11,16,18H,12-15,17H2,1-3H3
InChIKey
NEEGNYKRJDHJNX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
17
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
116.09
TPSA
17.4

LogP / Solubility

WLOGP
5.55
MLOGP
4.9
XLogP3
5.1
Consensus LogP
5.18
Log S (ESOL)
-5.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.42
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.18

Drug-likeness / Medicinal Chemistry

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

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