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CAS 1016644-38-4 2-Oxo-2,3-dihydrobenzo[d]oxazol-6-yl-boronic acid molecular structure lightbox
CAS RN: 1016644-38-4

2-Oxo-2,3-dihydrobenzo[d]oxazol-6-yl-boronic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250419 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-002506
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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 1016644-38-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1016644-38-4 / (2-oxo-3H-1,3-benzoxazol-6-yl)boronic acid

2-Oxo-2,3-dihydrobenzo(d)oxazol-6-ylboronic acid | 2-oxo-2,3-dihydrobenzo[d]oxazol-6-ylboronic acid | RefChem:910175

Standard CAS: 1016644-38-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1016644-38-4
Multi CAS
Yes
Molecular Formula
C7H6BNO4
Molecular Weight
178.940000
Exact Mass
179.038988
SMILES
B(C1=CC2=C(C=C1)NC(=O)O2)(O)O
InChI
InChI=1S/C7H6BNO4/c10-7-9-5-2-1-4(8(11)12)3-6(5)13-7/h1-3,11-12H,(H,9,10)
InChIKey
PHZVOCDSNUZULP-UHFFFAOYSA-N
Synonyms
2-Oxo-2,3-dihydrobenzo(d)oxazol-6-ylboronic acid 2-oxo-2,3-dihydrobenzo[d]oxazol-6-ylboronic acid RefChem:910175 (2-Oxo-2,3-dihydrobenzo[d]oxazol-6-yl)boronic acid (2-oxo-3H-1,3-benzoxazol-6-yl)boronic acid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
46.66
TPSA
86.46

LogP / Solubility

WLOGP
-1.2
MLOGP
-1.06
XLogP3
-1.2
Consensus LogP
-1.15
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.16
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.05
Class (SILICOS-IT)
Highly 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)
-4.66

Drug-likeness / Medicinal Chemistry

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

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