[email protected]
CAS 56218-46-3 Methyl lycernuate A molecular structure lightbox
CAS RN: 56218-46-3

Methyl lycernuate A

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260112 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS56218-46-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

56218-46-3 / methyl (3S,6R,7R,8S,11R,12S,15S,16R,19R,21R)-8,19-dihydroxy-3,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-7-carboxylate

Standard CAS: 56218-46-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56218-46-3
Multi CAS
Yes
Molecular Formula
C31H50O4
Molecular Weight
486.700000
Exact Mass
486.370910
InChI
InChI=1S/C31H50O4/c1-27(2)21-10-8-19-18-28(3)15-12-23-30(5,17-14-25(33)31(23,6)26(34)35-7)22(28)11-9-20(19)29(21,4)16-13-24(27)32/h8,20-25,32-33H,9-18H2,1-7H3/t20-,21-,22-,23+,24+,25-,28-,29+,30+,31+/m0/s1
InChIKey
YJCLBMDGUOAHFA-BUWPLOKVSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
138.45
TPSA
66.76

LogP / Solubility

WLOGP
6.29
MLOGP
5.57
XLogP3
7.1
Consensus LogP
6.32
Log S (ESOL)
-6.76
Class (ESOL)
Insoluble
Log S (Ali)
-8.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.17
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

Customers Also Viewed

Get In Touch

Contact Us