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CAS 641569-96-2 Ethyl 3-Carbamimidoylamino-4-methylbenzoate Nitrate molecular structure lightbox
CAS RN: 641569-96-2

Ethyl 3-Carbamimidoylamino-4-methylbenzoate Nitrate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260112 10g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250215 1g In stock Shanghai Inquiry
Batchno.20260330 25g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250521 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-173916
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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: 25g
  • Available purity: ≥97%
  • 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 641569-96-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

641569-96-2 / ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;nitric acid

Standard CAS: 641569-96-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
641569-96-2
Multi CAS
Yes
Molecular Formula
C11H16N4O5
Molecular Weight
284.270000
Exact Mass
284.112070
InChI
InChI=1S/C11H15N3O2.HNO3/c1-3-16-10(15)8-5-4-7(2)9(6-8)14-11(12)13;2-1(3)4/h4-6H,3H2,1-2H3,(H4,12,13,14);(H,2,3,4)
InChIKey
YQMZYKJPGMVZJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
71.39
TPSA
154.07

LogP / Solubility

WLOGP
0.73
MLOGP
0.65
XLogP3
0.73
Consensus LogP
0.7
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately 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)
-3.94

Drug-likeness / Medicinal Chemistry

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

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