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CAS 330-95-0 Nicarbazin molecular structure lightbox
CAS RN: 330-95-0

Nicarbazin

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250221 1ml In stock Inquiry
  • Product code: SSC-138829
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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: 100g
  • 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 330-95-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

330-95-0 / 1,3-bis(4-nitrophenyl)urea;4,6-dimethyl-1H-pyrimidin-2-one

Standard CAS: 330-95-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
330-95-0
Multi CAS
Yes
Molecular Formula
C19H18N6O6
Molecular Weight
426.400000
Exact Mass
426.128782
InChI
InChI=1S/C13H10N4O5.C6H8N2O/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22;1-4-3-5(2)8-6(9)7-4/h1-8H,(H2,14,15,18);3H,1-2H3,(H,7,8,9)
InChIKey
UKHWDRMMMYWSFL-UHFFFAOYSA-N

Physical Properties

Melting Point
decomposes 265-275 °C
Density
0.5 g/ml Yellowish-tan solid, round to oblong, semisoft kibbles. None to slight grain odor. Density: 25-33 lbs/bushel. /OvoControl-G/
Physical Description
Light yellow solid; [HSDB]
Appearance
Crystals Light yellow, fine powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
3
Molar refractivity
113.17
TPSA
173.16

LogP / Solubility

WLOGP
3.53
MLOGP
3.14
XLogP3
3.53
Consensus LogP
3.4
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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