[email protected]
CAS 3606-45-9 DIHYDROSANGUINARINE molecular structure lightbox
CAS RN: 3606-45-9

DIHYDROSANGUINARINE

Product Availability

Choose a grade to view its available package options.

3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250718 10mg Out of stock Inquiry
Batchno.20260126 1mg Out of stock Inquiry
Batchno.20250423 5mg Out of stock Inquiry
  • Product code: starshine_CAS3606-45-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

3606-45-9 / 24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene

Standard CAS: 3606-45-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3606-45-9
Multi CAS
Yes
Molecular Formula
C20H15NO4
Molecular Weight
333.300000
Exact Mass
333.100108
InChI
InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3
InChIKey
CIUHLXZTZWTVFL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.2
H-bond acceptors
5
Molar refractivity
93.74
TPSA
40.16

LogP / Solubility

WLOGP
3.91
MLOGP
3.46
XLogP3
4.1
Consensus LogP
3.82
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us