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CAS 148720-07-4 4-Guanidinobenzoic Acid Methanesulfonate molecular structure lightbox
CAS RN: 148720-07-4

4-Guanidinobenzoic Acid Methanesulfonate

  • Product code: SSC-058924
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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: 5g
  • Available purity: 0
  • 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 148720-07-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g 0 0 Out of Stock Shenzhen Inquiry

148720-07-4 / 4-(diaminomethylideneamino)benzoic acid;methanesulfonic acid

Standard CAS: 148720-07-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
148720-07-4
Multi CAS
No
Molecular Formula
C9H13N3O5S
Molecular Weight
275.280000
Exact Mass
275.057592
SMILES
CS(=O)(=O)O.C1=CC(=CC=C1C(=O)O)N=C(N)N
InChI
InChI=1S/C8H9N3O2.CH4O3S/c9-8(10)11-6-3-1-5(2-4-6)7(12)13;1-5(2,3)4/h1-4H,(H,12,13)(H4,9,10,11);1H3,(H,2,3,4)
InChIKey
NGBBXMQQIAFCGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
66.34
TPSA
156.07

LogP / Solubility

WLOGP
-0.21
MLOGP
-0.17
XLogP3
-0.21
Consensus LogP
-0.2
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
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)
-4.55

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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