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CAS 64369-13-7 1H-PeriMidine,2-(4-broMophenyl)-2,3-dihydro- molecular structure lightbox
CAS RN: 64369-13-7

1H-PeriMidine,2-(4-broMophenyl)-2,3-dihydro-

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250629 100mg In stock Tianjin Inquiry
Batchno.20250429 1g Out of stock Inquiry
Batchno.20260615 250mg Out of stock Inquiry
Batchno.20251218 25mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260420 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS64369-13-7
  • Purity/Analytical Methods: >99.0%
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64369-13-7 / 2-(4-bromophenyl)-2,3-dihydro-1H-perimidine

Standard CAS: 64369-13-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
64369-13-7
Multi CAS
Yes
Molecular Formula
BC17H13Rn2
Molecular Weight
325.200000
Exact Mass
324.026210
InChI
InChI=1S/C17H13BrN2/c18-13-9-7-12(8-10-13)17-19-14-5-1-3-11-4-2-6-15(20-17)16(11)14/h1-10,17,19-20H
InChIKey
YSRRRCGJBGQBDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
88.08
TPSA
24.06

LogP / Solubility

WLOGP
5.14
MLOGP
4.54
XLogP3
5.2
Consensus LogP
4.96
Log S (ESOL)
-5.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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