CAS 136849-15-5 Cyclosulfamuron molecular structure

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CAS RN: 136849-15-5

Cyclosulfamuron

Product code: SSC-046042

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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 136849-15-5
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	0 Out of Stock	Hong Kong	Inquiry

136849-15-5 / 1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea

Standard CAS: 136849-15-5 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

136849-15-5

Multi CAS

Molecular Formula

C17H19N5O6S

Molecular Weight

421.400000

Exact Mass

421.105605

SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)NC2=CC=CC=C2C(=O)C3CC3)OC

InChI

InChI=1S/C17H19N5O6S/c1-27-13-9-14(28-2)19-16(18-13)20-17(24)22-29(25,26)21-12-6-4-3-5-11(12)15(23)10-7-8-10/h3-6,9-10,21H,7-8H2,1-2H3,(H2,18,19,20,22,24)

InChIKey

OFSLKOLYLQSJPB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.29

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

103.33

TPSA

148.61

LogP / Solubility

WLOGP

1.56

MLOGP

1.4

XLogP3

2.2

Consensus LogP

1.72

Log S (ESOL)

-3.22

Class (ESOL)

Poorly soluble

Log S (Ali)

-4.15

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-4.66

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

Yes

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Log Kp (skin permeation)

-4.18

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Egan

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

2.5

Safety & Transport

Pictogram(s)

Irritant Environmental Hazard Corrosive Health Hazard

Signal

Warning Danger

GHS Hazard Statements

H319 (76%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (24%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statement Codes

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 P273, P391, and P501 P260, P261, P264, P264+P265, P270, P271, P280, P304+P340, P305+P354+P338, P317, P319, P403+P233, P405, and P501