CAS RN: 65795-37-1

7H-PYRROLO[3,2-F]QUINAZOLINE-1,3-DIAMINE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250716 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS65795-37-1
  • Purity/Analytical Methods: >99.0%
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65795-37-1 / 4H-pyrrolo[3,2-f]quinazoline-1,3-diamine

Standard CAS: 65795-37-1 Multi CAS: No

Basic Information

CAS
65795-37-1
Multi CAS
No
Molecular Formula
C10H9N5
Molecular Weight
199.210000
Exact Mass
199.085795
InChI
InChI=1S/C10H9N5/c11-9-8-5-3-4-13-6(5)1-2-7(8)14-10(12)15-9/h1-4H,11H2,(H3,12,14,15)
InChIKey
TYJMBWNFQVCGFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
13
H-bond acceptors
4
H-bond donors
3
Molar refractivity
60.22
TPSA
93.61

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
0.3
Consensus LogP
0.9
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.01
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)
-3.03

Drug-likeness / Medicinal Chemistry

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

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