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CAS 78097-11-7 1-(2-HYDROXYETHOXY)METHYL-5-BROMOURACIL molecular structure lightbox
CAS RN: 78097-11-7

1-(2-HYDROXYETHOXY)METHYL-5-BROMOURACIL

  • Product code: SSC-187609
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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 78097-11-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

78097-11-7 / 5-bromo-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione

Standard CAS: 78097-11-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78097-11-7
Multi CAS
Yes
Molecular Formula
BC7H9O4Rn2
Molecular Weight
265.060000
Exact Mass
263.974570
InChI
InChI=1S/C7H9BrN2O4/c8-5-3-10(4-14-2-1-11)7(13)9-6(5)12/h3,11H,1-2,4H2,(H,9,12,13)
InChIKey
LXUJYJGKHLVRJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
52.06
TPSA
84.32

LogP / Solubility

WLOGP
-0.73
MLOGP
-0.64
XLogP3
-0.6
Consensus LogP
-0.66
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
Class (SILICOS-IT)
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)
-4.86

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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