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CAS 537-21-3 PROGUANIL HYDROCHLORIDE molecular structure lightbox
CAS RN: 537-21-3

PROGUANIL HYDROCHLORIDE

  • Product code: SSC-161072
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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
  • 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 537-21-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

537-21-3 / 1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine

Standard CAS: 537-21-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
537-21-3
Multi CAS
Yes
Molecular Formula
C11H15CL2N5
Molecular Weight
288.170000
Exact Mass
287.070451
InChI
InChI=1S/C11H15Cl2N5/c1-6(2)16-10(14)18-11(15)17-7-3-4-8(12)9(13)5-7/h3-6H,1-2H3,(H5,14,15,16,17,18)
InChIKey
ISZNZKHCRKXXAU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
3
Molar refractivity
78.47
TPSA
88.79

LogP / Solubility

WLOGP
2.44
MLOGP
2.16
XLogP3
3
Consensus LogP
2.53
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

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

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