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CAS 2285330-15-4 LMP7-IN-1 molecular structure lightbox
CAS RN: 2285330-15-4

LMP7-IN-1

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260204 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2285330-15-4
  • Purity/Analytical Methods: >99.0%
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2285330-15-4 / [(1R)-2-(1-benzofuran-3-yl)-1-[[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]boronic acid

Standard CAS: 2285330-15-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2285330-15-4
Multi CAS
No
Molecular Formula
C17H20BNO5
Molecular Weight
329.200000
Exact Mass
329.143453
SMILES
B([C@H](CC1=COC2=CC=CC=C21)NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)(O)O
InChI
InChI=1S/C17H20BNO5/c20-17(13-8-11-5-6-15(13)24-11)19-16(18(21)22)7-10-9-23-14-4-2-1-3-12(10)14/h1-4,9,11,13,15-16,21-22H,5-8H2,(H,19,20)/t11-,13-,15+,16+/m1/s1
InChIKey
RFQDLTYXNINJON-OYNZBZHQSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
9
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
88.04
TPSA
91.93

LogP / Solubility

WLOGP
1.04
MLOGP
0.93
XLogP3
1.04
Consensus LogP
1
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly 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)
-3.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
7

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