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CAS 1778667-15-4 (4-(N,N-dimethylsulfamoyl)-3-methylphenyl)boronic acid molecular structure lightbox
CAS RN: 1778667-15-4

(4-(N,N-dimethylsulfamoyl)-3-methylphenyl)boronic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260224 100mg / 250mg / 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: SSC-077750
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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 1778667-15-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1778667-15-4 / [4-(dimethylsulfamoyl)-3-methylphenyl]boronic acid

Standard CAS: 1778667-15-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1778667-15-4
Multi CAS
No
Molecular Formula
C9H14BNO4S
Molecular Weight
243.090000
Exact Mass
243.073659
SMILES
B(C1=CC(=C(C=C1)S(=O)(=O)N(C)C)C)(O)O
InChI
InChI=1S/C9H14BNO4S/c1-7-6-8(10(12)13)4-5-9(7)16(14,15)11(2)3/h4-6,12-13H,1-3H3
InChIKey
ZCMUUHUCUDZNOK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.88
TPSA
77.84

LogP / Solubility

WLOGP
-1.07
MLOGP
-0.94
XLogP3
-1.07
Consensus LogP
-1.03
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.97

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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