[email protected]
CAS 38691-95-1 Groenlandicine molecular structure lightbox
CAS RN: 38691-95-1

Groenlandicine

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260127 100mg In stock Shanghai Inquiry
Batchno.20260209 10mg In stock Shanghai Inquiry
Batchno.20251231 1mg In stock Shanghai Inquiry
Batchno.20251226 25mg In stock Shanghai Inquiry
Batchno.20260529 50mg In stock Shanghai Inquiry
Batchno.20250104 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS38691-95-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

38691-95-1 / 16-methoxy-5,7-dioxa-1-azoniapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-17-ol

Standard CAS: 38691-95-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
38691-95-1
Multi CAS
Yes
Molecular Formula
C19H16NO4
Molecular Weight
322.300000
Exact Mass
322.107933
InChI
InChI=1S/C19H15NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,6-9H,4-5,10H2,1H3/p+1
InChIKey
PGIOBGCIEGZHJH-UHFFFAOYSA-O

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.21
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
87.62
TPSA
51.8

LogP / Solubility

WLOGP
2.79
MLOGP
2.47
XLogP3
3.3
Consensus LogP
2.85
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

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
3.5

Customers Also Viewed

Get In Touch

Contact Us