[email protected]
CAS 144506-17-2 Cannabisin B molecular structure lightbox
CAS RN: 144506-17-2

Cannabisin B

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250927 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS144506-17-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

144506-17-2 / (1S,2R)-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-1,2-dihydronaphthalene-2,3-dicarboxamide

Standard CAS: 144506-17-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144506-17-2
Multi CAS
No
Molecular Formula
C34H32N2O8
Molecular Weight
596.600000
Exact Mass
596.215866
SMILES
C1=CC(=CC=C1CCNC(=O)[C@@H]2[C@H](C3=CC(=C(C=C3C=C2C(=O)NCCC4=CC=C(C=C4)O)O)O)C5=CC(=C(C=C5)O)O)O
InChI
InChI=1S/C34H32N2O8/c37-23-6-1-19(2-7-23)11-13-35-33(43)26-15-22-17-29(41)30(42)18-25(22)31(21-5-10-27(39)28(40)16-21)32(26)34(44)36-14-12-20-3-8-24(38)9-4-20/h1-10,15-18,31-32,37-42H,11-14H2,(H,35,43)(H,36,44)/t31-,32-/m0/s1
InChIKey
XENYXHLAFMZULS-ACHIHNKUSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
24
Fraction Csp3
0.18
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
8
Molar refractivity
162.49
TPSA
179.58

LogP / Solubility

WLOGP
3.78
MLOGP
3.38
XLogP3
4.2
Consensus LogP
3.79
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.76
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.67

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

Customers Also Viewed

Get In Touch

Contact Us