[email protected]
CAS 72510-04-4 LYCOBETAINE molecular structure lightbox
CAS RN: 72510-04-4

LYCOBETAINE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260216 5mg / 20mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS72510-04-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

72510-04-4 / 5,7-dioxa-12-azoniapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,11,15(19),16-heptaen-17-ol

Standard CAS: 72510-04-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72510-04-4
Multi CAS
Yes
Molecular Formula
C16H12NO3
Molecular Weight
266.270000
Exact Mass
266.081718
InChI
InChI=1S/C16H11NO3/c18-11-3-9-1-2-17-7-10-4-14-15(20-8-19-14)6-12(10)13(5-11)16(9)17/h3-7H,1-2,8H2/p+1
InChIKey
DFQOXFIPAAMFAU-UHFFFAOYSA-O

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.19
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.14
TPSA
42.57

LogP / Solubility

WLOGP
2.27
MLOGP
2.01
XLogP3
3
Consensus LogP
2.43
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

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
2.5

Customers Also Viewed

Get In Touch

Contact Us