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CAS 1256358-60-7 4-(Thiomorpholine-4-methyl) phenylboronic acid molecular structure lightbox
CAS RN: 1256358-60-7

4-(Thiomorpholine-4-methyl) phenylboronic acid

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251102 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
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Batchno.20250528 1g Out of stock Inquiry
Batchno.20251121 250mg In stock Shanghai Inquiry
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  • Product code: LINT905192
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1256358-60-7 / [4-(thiomorpholin-4-ylmethyl)phenyl]boronic acid

Standard CAS: 1256358-60-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256358-60-7
Multi CAS
No
Molecular Formula
C11H16BNO2S
Molecular Weight
237.130000
Exact Mass
237.099480
SMILES
B(C1=CC=C(C=C1)CN2CCSCC2)(O)O
InChI
InChI=1S/C11H16BNO2S/c14-12(15)11-3-1-10(2-4-11)9-13-5-7-16-8-6-13/h1-4,14-15H,5-9H2
InChIKey
VDMPAGMAGZPHSO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.87
TPSA
43.7

LogP / Solubility

WLOGP
-0.08
MLOGP
-0.07
XLogP3
-0.08
Consensus LogP
-0.08
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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