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CAS 1596379-00-8 Carbamic acid, N-[(chloroamino)[(methoxycarbonyl)amino]methylene]-, methyl ester molecular structure lightbox
CAS RN: 1596379-00-8

Carbamic acid, N-[(chloroamino)[(methoxycarbonyl)amino]methylene]-, methyl ester

Product Availability

Choose a grade to view its available package options.

9 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260422 1g Out of stock Inquiry
Batchno.20250720 250mg In stock Inquiry
Batchno.20250504 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250712 1g / 5g / 25g / 100g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250427 100g In stock Shanghai, Tianjin Inquiry
Batchno.20260221 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260428 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20251013 500g In stock Shanghai Inquiry
Batchno.20250519 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-067601
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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, 5g, 10g, 25g
  • 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 1596379-00-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

1596379-00-8 / methyl N-(N'-chloro-N-methoxycarbonylcarbamimidoyl)carbamate

Standard CAS: 1596379-00-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1596379-00-8
Multi CAS
No
Molecular Formula
C5H8ClN3O4
Molecular Weight
209.590000
Exact Mass
209.020333
SMILES
COC(=O)NC(=NCl)NC(=O)OC
InChI
InChI=1S/C5H8ClN3O4/c1-12-4(10)7-3(9-6)8-5(11)13-2/h1-2H3,(H2,7,8,9,10,11)
InChIKey
PCUVYBUDIWDLNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
44.37
TPSA
89.02

LogP / Solubility

WLOGP
0.21
MLOGP
0.18
XLogP3
2.1
Consensus LogP
0.83
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

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