[email protected]
CAS 4336-46-3 1-(DiaMinoMethylene)-3-(beta-D-ribofuranosyl)urea Picrate molecular structure lightbox
CAS RN: 4336-46-3

1-(DiaMinoMethylene)-3-(beta-D-ribofuranosyl)urea Picrate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250618 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-151606
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 0.25g, 1g, 0.1g
  • Available purity: >80%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4336-46-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >80% 4 In Stock Beijing Inquiry
0.25g >80% 3 In Stock Hong Kong Inquiry
1g >80% 3 In Stock Hong Kong Inquiry
0.1g >80% 2 In Stock Shanghai Inquiry

4336-46-3 / 1-(diaminomethylidene)-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea;2,4,6-trinitrophenol

Standard CAS: 4336-46-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4336-46-3
Multi CAS
Yes
Molecular Formula
C13H17N7O12
Molecular Weight
463.310000
Exact Mass
463.093519
InChI
InChI=1S/C7H14N4O5.C6H3N3O7/c8-6(9)11-7(15)10-5-4(14)3(13)2(1-12)16-5;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-5,12-14H,1H2,(H5,8,9,10,11,15);1-2,10H/t2-,3-,4-,5-;/m1./s1
InChIKey
RTONSOUBEUPEOS-QLRMNKGWSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
12
H-bond donors
7
Molar refractivity
100.17
TPSA
313.07

LogP / Solubility

WLOGP
-2.47
MLOGP
-2.15
XLogP3
-2.47
Consensus LogP
-2.36
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.3

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

Customers Also Viewed

Get In Touch

Contact Us