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CAS 317321-41-8 5-METHYL-4-[(1R,6R)-3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL]-1,3-BENZENEDIOL molecular structure lightbox
CAS RN: 317321-41-8

5-METHYL-4-[(1R,6R)-3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL]-1,3-BENZENEDIOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260324 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS317321-41-8
  • Purity/Analytical Methods: >99.0%
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317321-41-8 / 5-methyl-4-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene-1,3-diol

Standard CAS: 317321-41-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
317321-41-8
Multi CAS
Yes
Molecular Formula
C17H22O2
Molecular Weight
258.350000
Exact Mass
258.161980
InChI
InChI=1S/C17H22O2/c1-10(2)14-6-5-11(3)7-15(14)17-12(4)8-13(18)9-16(17)19/h7-9,14-15,18-19H,1,5-6H2,2-4H3/t14-,15+/m0/s1
InChIKey
KDZOUSULXZNDJH-LSDHHAIUSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.41
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
78.54
TPSA
40.46

LogP / Solubility

WLOGP
4.42
MLOGP
3.9
XLogP3
4.5
Consensus LogP
4.27
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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