CAS RN: 927691-21-2

(R)-6,7-dimethoxy-4-(3-(quinoxalin-2-yloxy)pyrrolidin-1-yl)quinazoline

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250311 100mg In stock Shanghai Inquiry
Batchno.20250101 10mg Out of stock 5-7 business days Inquiry
Batchno.20251101 250mg In stock Shanghai Inquiry
Batchno.20250722 25mg In stock Shanghai Inquiry
Batchno.20250219 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS927691-21-2
  • Purity/Analytical Methods: >99.0%
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927691-21-2 / 6,7-dimethoxy-4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)quinazoline

Standard CAS: 927691-21-2 Multi CAS: Yes

Basic Information

CAS
927691-21-2
Multi CAS
Yes
Molecular Formula
C22H21N5O3
Molecular Weight
403.400000
Exact Mass
403.164440
InChI
InChI=1S/C22H21N5O3/c1-28-19-9-15-18(10-20(19)29-2)24-13-25-22(15)27-8-7-14(12-27)30-21-11-23-16-5-3-4-6-17(16)26-21/h3-6,9-11,13-14H,7-8,12H2,1-2H3/t14-/m1/s1
InChIKey
UBIIFKJMNRPNMT-CQSZACIVSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
20
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
8
Molar refractivity
113.43
TPSA
82.49

LogP / Solubility

WLOGP
3.25
MLOGP
2.88
XLogP3
3.4
Consensus LogP
3.18
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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