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CAS 148747-59-5 6-Oxo-2-phenyl-5-[[(phenylmethoxy)carbonyl]amino]-1(6H)-pyrimidineacetic acid molecular structure lightbox
CAS RN: 148747-59-5

6-Oxo-2-phenyl-5-[[(phenylmethoxy)carbonyl]amino]-1(6H)-pyrimidineacetic acid

  • Product code: SSC-058942
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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 148747-59-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

148747-59-5 / 2-[6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetic acid

Standard CAS: 148747-59-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
148747-59-5
Multi CAS
No
Molecular Formula
C20H17N3O5
Molecular Weight
379.400000
Exact Mass
379.116821
SMILES
C1=CC=C(C=C1)COC(=O)NC2=CN=C(N(C2=O)CC(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C20H17N3O5/c24-17(25)12-23-18(15-9-5-2-6-10-15)21-11-16(19(23)26)22-20(27)28-13-14-7-3-1-4-8-14/h1-11H,12-13H2,(H,22,27)(H,24,25)
InChIKey
MYWBQLSEKOCWGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
101.82
TPSA
110.52

LogP / Solubility

WLOGP
2.74
MLOGP
2.44
XLogP3
2
Consensus LogP
2.39
Log S (ESOL)
-4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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