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CAS 159306-35-1 4-(Dimethylcarbamoyl)-2-methylphenylboronic Acid molecular structure lightbox
CAS RN: 159306-35-1

4-(Dimethylcarbamoyl)-2-methylphenylboronic Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260608 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-067310
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 159306-35-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

159306-35-1 / [4-(dimethylcarbamoyl)-2-methylphenyl]boronic acid

Standard CAS: 159306-35-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
159306-35-1
Multi CAS
No
Molecular Formula
C10H14BNO3
Molecular Weight
207.040000
Exact Mass
207.106674
SMILES
B(C1=C(C=C(C=C1)C(=O)N(C)C)C)(O)O
InChI
InChI=1S/C10H14BNO3/c1-7-6-8(10(13)12(2)3)4-5-9(7)11(14)15/h4-6,14-15H,1-3H3
InChIKey
WJHRWLGLPHMHMC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.02
TPSA
60.77

LogP / Solubility

WLOGP
-0.62
MLOGP
-0.55
XLogP3
-0.62
Consensus LogP
-0.6
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-0.81
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.43

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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