[email protected]
CAS 52798-09-1 (4-CARBAMIMIDOYL-PHENYL)-ACETIC ACID HYDROCHLORIDE molecular structure lightbox
CAS RN: 52798-09-1

(4-CARBAMIMIDOYL-PHENYL)-ACETIC ACID HYDROCHLORIDE

  • Product code: SSC-159931
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: 1g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 52798-09-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

52798-09-1 / 2-(4-carbamimidoylphenyl)acetic acid;hydrochloride

Standard CAS: 52798-09-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52798-09-1
Multi CAS
Yes
Molecular Formula
C9H11CLN2O2
Molecular Weight
214.650000
Exact Mass
214.050905
InChI
InChI=1S/C9H10N2O2.ClH/c10-9(11)7-3-1-6(2-4-7)5-8(12)13;/h1-4H,5H2,(H3,10,11)(H,12,13);1H
InChIKey
FVNZSYXKUMKULD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
3
Molar refractivity
56.05
TPSA
87.17

LogP / Solubility

WLOGP
1.02
MLOGP
0.9
XLogP3
1.02
Consensus LogP
0.98
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately 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)
-3.31

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

Customers Also Viewed

Get In Touch

Contact Us