[email protected]
CAS 128533-02-8 sauristolactam molecular structure lightbox
CAS RN: 128533-02-8

sauristolactam

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250413 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS128533-02-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

128533-02-8 / 14-hydroxy-15-methoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one

Standard CAS: 128533-02-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
128533-02-8
Multi CAS
No
Molecular Formula
C17H13NO3
Molecular Weight
279.290000
Exact Mass
279.089543
SMILES
CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4OC)O)C1=O
InChI
InChI=1S/C17H13NO3/c1-18-12-7-9-5-3-4-6-10(9)15-14(12)11(17(18)20)8-13(19)16(15)21-2/h3-8,19H,1-2H3
InChIKey
WRFZNTLPRUIGKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
14
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
82.4
TPSA
49.77

LogP / Solubility

WLOGP
3.3
MLOGP
2.91
XLogP3
3.1
Consensus LogP
3.1
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us