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CAS 1015242-57-5 4-(Morpholine-4-carboxaMido)phenylboronic acid molecular structure lightbox
CAS RN: 1015242-57-5

4-(Morpholine-4-carboxaMido)phenylboronic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260116 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-002356
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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 1015242-57-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1015242-57-5 / [4-(morpholine-4-carbonylamino)phenyl]boronic acid

4-(morpholine-4-carboxamido)phenylboronic acid | (4-(morpholine-4-carboxamido)phenyl)boronic acid | MFCD28400583

Standard CAS: 1015242-57-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1015242-57-5
Multi CAS
No
Molecular Formula
C11H15BN2O4
Molecular Weight
250.060000
Exact Mass
250.112487
SMILES
B(C1=CC=C(C=C1)NC(=O)N2CCOCC2)(O)O
InChI
InChI=1S/C11H15BN2O4/c15-11(14-5-7-18-8-6-14)13-10-3-1-9(2-4-10)12(16)17/h1-4,16-17H,5-8H2,(H,13,15)
InChIKey
ZQOUZXXGAUGNCI-UHFFFAOYSA-N
Synonyms
4-(morpholine-4-carboxamido)phenylboronic acid (4-(morpholine-4-carboxamido)phenyl)boronic acid MFCD28400583 [4-(morpholine-4-carbonylamino)phenyl]boronic acid {4-[(morpholine-4-carbonyl)amino]phenyl}boronic acid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
67.68
TPSA
82.03

LogP / Solubility

WLOGP
-0.77
MLOGP
-0.67
XLogP3
-0.77
Consensus LogP
-0.74
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.89
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)
-4.79

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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