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CAS 639-99-6 (1S,2S,4R)-(-)-alpha,alpha-dimethyl-1-vinyl-o-menth-8-ene-4-methanol molecular structure lightbox
CAS RN: 639-99-6

(1S,2S,4R)-(-)-alpha,alpha-dimethyl-1-vinyl-o-menth-8-ene-4-methanol

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260624 1g Out of stock Inquiry
Batchno.20260119 250mg Out of stock Inquiry
  • Product code: starshine_CAS639-99-6
  • Purity/Analytical Methods: >99.0%
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639-99-6 / 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol

Standard CAS: 639-99-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
639-99-6
Multi CAS
Yes
Molecular Formula
C15H26O
Molecular Weight
222.370000
Exact Mass
222.198365
InChI
InChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,15-/m1/s1
InChIKey
GFJIQNADMLPFOW-VNHYZAJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.73
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
70.25
TPSA
20.23

LogP / Solubility

WLOGP
3.94
MLOGP
3.47
XLogP3
4.4
Consensus LogP
3.94
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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