[email protected]
CAS 374791-05-6 (3R,6R)-2,7-DIMETHYL-3,6-OCTANEDIOL molecular structure lightbox
CAS RN: 374791-05-6

(3R,6R)-2,7-DIMETHYL-3,6-OCTANEDIOL

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250311 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS374791-05-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

374791-05-6 / 2,7-dimethyloctane-3,6-diol

Standard CAS: 374791-05-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
374791-05-6
Multi CAS
Yes
Molecular Formula
C10H22O2
Molecular Weight
174.280000
Exact Mass
174.161980
InChI
InChI=1S/C10H22O2/c1-7(2)9(11)5-6-10(12)8(3)4/h7-12H,5-6H2,1-4H3/t9-,10-/m1/s1
InChIKey
IIEGQVRKIRPFFP-NXEZZACHSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.92
TPSA
40.46

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
2.4
Consensus LogP
1.93
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us