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CAS 18219-39-1 3-METHOXYCARBONYL BENZAMIDINE HCL molecular structure lightbox
CAS RN: 18219-39-1

3-METHOXYCARBONYL BENZAMIDINE HCL

  • Product code: SSC-083217
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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: 0.1g, 0.25g, 1g, 10g, 25g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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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 18219-39-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
10g >97% 5 In Stock Beijing Inquiry
25g >97% 5 In Stock Shenzhen Inquiry
5g >97% 4 In Stock Beijing Inquiry

18219-39-1 / methyl 3-carbamimidoylbenzoate;hydrochloride

Standard CAS: 18219-39-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18219-39-1
Multi CAS
No
Molecular Formula
C9H11ClN2O2
Molecular Weight
214.650000
Exact Mass
214.050905
SMILES
COC(=O)C1=CC=CC(=C1)C(=N)N.Cl
InChI
InChI=1S/C9H10N2O2.ClH/c1-13-9(12)7-4-2-3-6(5-7)8(10)11;/h2-5H,1H3,(H3,10,11);1H
InChIKey
DYMXEQLOMHMOQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.05
TPSA
76.17

LogP / Solubility

WLOGP
1.18
MLOGP
1.04
XLogP3
1.18
Consensus LogP
1.13
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19

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

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