[email protected]
CAS 449729-89-9 (+)-S-Myricanol glucoside molecular structure lightbox
CAS RN: 449729-89-9

(+)-S-Myricanol glucoside

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250801 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS449729-89-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

449729-89-9 / (2S,3R,4S,5S,6R)-2-[[(11S)-11,17-dihydroxy-3,4-dimethoxy-5-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaenyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 449729-89-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
449729-89-9
Multi CAS
Yes
Molecular Formula
C27H36O10
Molecular Weight
520.600000
Exact Mass
520.230847
InChI
InChI=1S/C27H36O10/c1-34-25-18-12-15(5-3-4-6-16(29)9-7-14-8-10-19(30)17(18)11-14)24(26(25)35-2)37-27-23(33)22(32)21(31)20(13-28)36-27/h8,10-12,16,20-23,27-33H,3-7,9,13H2,1-2H3
InChIKey
NPSYWDNXSMBWKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
12
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
6
Molar refractivity
132.92
TPSA
158.3

LogP / Solubility

WLOGP
1.27
MLOGP
1.16
XLogP3
2.3
Consensus LogP
1.58
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.99

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us