CAS RN: 82467-50-3
R(+)-Gomisin M1
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: starshine_CAS82467-50-3
- Purity/Analytical Methods: >99.0%
82467-50-3 / (9R,10S)-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-3-ol
Basic Information
CAS
82467-50-3
Multi CAS
Yes
Molecular Formula
C22H26O6
Molecular Weight
386.400000
Exact Mass
386.172939
InChI
InChI=1S/C22H26O6/c1-11-6-13-8-15(24-3)20(25-4)19(23)17(13)18-14(7-12(11)2)9-16-21(22(18)26-5)28-10-27-16/h8-9,11-12,23H,6-7,10H2,1-5H3
InChIKey
OGJPBGDUYKEQLA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
105.06
TPSA
66.38
LogP / Solubility
WLOGP
4.18
MLOGP
3.7
XLogP3
4.8
Consensus LogP
4.23
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.11
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
-
Centauroside
- CAS RN: 82474-97-3
- Product Code: starshine_CAS82474-97-3
- Purity/Analytical method: >99.0%
-
Oroxylin A 7-O-beta-D-glucuronide methyl ester
- CAS RN: 82475-01-2
- Product Code: starshine_CAS82475-01-2
- Purity/Analytical method: >99.0%
-
3-(2,4-Dichloro-phenyl)-acrylic acid methyl ester
- CAS RN: 82475-76-1
- Product Code: starshine_CAS82475-76-1
- Purity/Analytical method: >99.0%
-
-
-
(3-CHLORO-5-METHOXYPHENYL)METHANOL
- CAS RN: 82477-68-7
- Product Code: starshine_CAS82477-68-7
- Purity/Analytical method: >99.0%
