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CAS 60584-76-1 [[(phenylmethoxy)carbonyl]amino]phenylacetic acid molecular structure lightbox
CAS RN: 60584-76-1

[[(phenylmethoxy)carbonyl]amino]phenylacetic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260419 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS60584-76-1
  • Purity/Analytical Methods: >99.0%
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60584-76-1 / 2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid

Standard CAS: 60584-76-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60584-76-1
Multi CAS
Yes
Molecular Formula
C16H15NO4
Molecular Weight
285.290000
Exact Mass
285.100108
InChI
InChI=1S/C16H15NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,20)(H,18,19)
InChIKey
RLDJWBVOZVJJOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
76.58
TPSA
75.63

LogP / Solubility

WLOGP
2.74
MLOGP
2.42
XLogP3
2.7
Consensus LogP
2.62
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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