CAS RN: 57605-81-9
β-Cembrenediol
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock1 grade group
- Product code: starshine_CAS57605-81-9
- Purity/Analytical Methods: >99.0%
57605-81-9 / 1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
Basic Information
CAS
57605-81-9
Multi CAS
Yes
Molecular Formula
C20H34O2
Molecular Weight
306.500000
Exact Mass
306.255880
InChI
InChI=1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3
InChIKey
RIVKDDXPCFBMOV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
94.7
TPSA
40.46
LogP / Solubility
WLOGP
4.78
MLOGP
4.22
XLogP3
4
Consensus LogP
4.33
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
Customers Also Viewed
-
m-Fluorophenyl trifluoromethanesulfonate
- CAS RN: 57606-65-2
- Product Code: starshine_CAS57606-65-2
- Purity/Analytical method: >99.0%
-
5-CHLOROMETHYL-3-(4-NITRO-PHENYL)-[1,2,4]OXADIAZOLE
- CAS RN: 57611-19-5
- Product Code: SSC-165778
-
Methyl 4-amino-1-benzyl-piperidine-4-carboxylate
- CAS RN: 57611-57-1
- Product Code: SSC-165779
-
-
5-Methyl-3-Phenyl-1H-Indazole
- CAS RN: 57614-16-1
- Product Code: starshine_CAS57614-16-1
- Purity/Analytical method: >99.0%
-
![CAS 57611-19-5 5-CHLOROMETHYL-3-(4-NITRO-PHENYL)-[1,2,4]OXADIAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/57611-19-5.gif)
