[email protected]
CAS 65236-62-6 Dehydrocrenatidine molecular structure lightbox
CAS RN: 65236-62-6

Dehydrocrenatidine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260423 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS65236-62-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

65236-62-6 / 1-ethenyl-4,8-dimethoxy-9H-pyrido[3,4-b]indole

Standard CAS: 65236-62-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65236-62-6
Multi CAS
No
Molecular Formula
C15H14N2O2
Molecular Weight
254.280000
Exact Mass
254.105528
InChI
InChI=1S/C15H14N2O2/c1-4-10-15-13(12(19-3)8-16-10)9-6-5-7-11(18-2)14(9)17-15/h4-8,17H,1H2,2-3H3
InChIKey
LDWBTKDUAXOZRB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
13
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.79
TPSA
47.14

LogP / Solubility

WLOGP
3.38
MLOGP
2.98
XLogP3
3.1
Consensus LogP
3.15
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us