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CAS 149411-91-6 Carbamic acid, N-(2,3-dihydro-2-oxo-4-pyrimidinyl)-, phenylmethyl ester molecular structure lightbox
CAS RN: 149411-91-6

Carbamic acid, N-(2,3-dihydro-2-oxo-4-pyrimidinyl)-, phenylmethyl ester

  • Product code: SSC-059438
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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 149411-91-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

149411-91-6 / benzyl N-(2-oxo-1H-pyrimidin-6-yl)carbamate

Standard CAS: 149411-91-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149411-91-6
Multi CAS
No
Molecular Formula
C12H11N3O3
Molecular Weight
245.230000
Exact Mass
245.080041
SMILES
C1=CC=C(C=C1)COC(=O)NC2=CC=NC(=O)N2
InChI
InChI=1S/C12H11N3O3/c16-11-13-7-6-10(14-11)15-12(17)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,13,14,15,16,17)
InChIKey
DOABLAGDAOTKAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.11
TPSA
84.08

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
0.6
Consensus LogP
1.15
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14

Drug-likeness / Medicinal Chemistry

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

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