[email protected]
CAS 1198357-79-7 3-[1-Methyl-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-6-ylphenol molecular structure lightbox
CAS RN: 1198357-79-7

3-[1-Methyl-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-6-ylphenol

Product Availability

Choose a grade to view its available package options.

11 package records10 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251229 25mg / 50mg / 100mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250819 100mg In stock Inquiry
Batchno.20250805 10mg In stock Inquiry
Batchno.20250717 250mg In stock Inquiry
Batchno.20260116 25mg In stock Inquiry
Batchno.20250717 50mg In stock Inquiry
Batchno.20250905 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251230 100mg In stock Tianjin Inquiry
Batchno.20260224 250mg Out of stock Inquiry
Batchno.20250802 25mg In stock Tianjin Inquiry
Batchno.20250511 50mg In stock Tianjin Inquiry
  • Product code: starshine_CAS1198357-79-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1198357-79-7 / 3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenol

ETP-45658 | ETP 45658 | ETP45658

Standard CAS: 1198357-79-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1198357-79-7
Multi CAS
No
Molecular Formula
C16H17N5O2
Molecular Weight
311.340000
Exact Mass
311.138225
SMILES
CN1C2=C(C=N1)C(=NC(=N2)C3=CC(=CC=C3)O)N4CCOCC4
InChI
InChI=1S/C16H17N5O2/c1-20-15-13(10-17-20)16(21-5-7-23-8-6-21)19-14(18-15)11-3-2-4-12(22)9-11/h2-4,9-10,22H,5-8H2,1H3
InChIKey
BJVRNXSHJLDZJR-UHFFFAOYSA-N
Synonyms
ETP-45658 ETP 45658 ETP45658 RefChem:921340 3-(1-Methyl-4-morpholino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
1
Molar refractivity
86.44
TPSA
76.3

LogP / Solubility

WLOGP
1.57
MLOGP
1.4
XLogP3
1.6
Consensus LogP
1.52
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us