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CAS 1072946-03-2 (3-(p-tolylcarbaMoyl)phenyl)boronic acid molecular structure lightbox
CAS RN: 1072946-03-2

(3-(p-tolylcarbaMoyl)phenyl)boronic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250123 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-008789
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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: ≥95%
  • 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 1072946-03-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1072946-03-2 / [3-[(4-methylphenyl)carbamoyl]phenyl]boronic acid

3-(p-Tolylcarbamoyl)phenylboronic acid | (3-(p-Tolylcarbamoyl)phenyl)boronic acid | MFCD10699620

Standard CAS: 1072946-03-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1072946-03-2
Multi CAS
No
Molecular Formula
C14H14BNO3
Molecular Weight
255.080000
Exact Mass
255.106674
SMILES
B(C1=CC(=CC=C1)C(=O)NC2=CC=C(C=C2)C)(O)O
InChI
InChI=1S/C14H14BNO3/c1-10-5-7-13(8-6-10)16-14(17)11-3-2-4-12(9-11)15(18)19/h2-9,18-19H,1H3,(H,16,17)
InChIKey
CCZJEJMKNHPTNG-UHFFFAOYSA-N
Synonyms
3-(p-Tolylcarbamoyl)phenylboronic acid (3-(p-Tolylcarbamoyl)phenyl)boronic acid MFCD10699620 [3-[(4-methylphenyl)carbamoyl]phenyl]boronic acid {3-[(4-Methylphenyl)carbamoyl]phenyl}boronic acid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
75.4
TPSA
69.56

LogP / Solubility

WLOGP
0.93
MLOGP
0.82
XLogP3
0.93
Consensus LogP
0.89
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately 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)
-3.62

Drug-likeness / Medicinal Chemistry

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

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