[email protected]
CAS 129314-37-0 5-O-methyllicoricidin molecular structure lightbox
CAS RN: 129314-37-0

5-O-methyllicoricidin

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260406 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS129314-37-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

129314-37-0 / 4-[(3R)-5,7-dimethoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol

Standard CAS: 129314-37-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
129314-37-0
Multi CAS
No
Molecular Formula
C27H34O5
Molecular Weight
438.600000
Exact Mass
438.240624
SMILES
CC(=CCC1=C(C=CC(=C1O)[C@H]2CC3=C(C(=C(C=C3OC2)OC)CC=C(C)C)OC)O)C
InChI
InChI=1S/C27H34O5/c1-16(2)7-9-20-23(28)12-11-19(26(20)29)18-13-22-25(32-15-18)14-24(30-5)21(27(22)31-6)10-8-17(3)4/h7-8,11-12,14,18,28-29H,9-10,13,15H2,1-6H3/t18-/m0/s1
InChIKey
GDAAEAXMNLVRCZ-SFHVURJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
127.53
TPSA
68.15

LogP / Solubility

WLOGP
5.85
MLOGP
5.18
XLogP3
6.8
Consensus LogP
5.94
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-7.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.21
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us