[email protected]
CAS 1070-32-2 3-METHYL-1-HEPTANOL molecular structure lightbox
CAS RN: 1070-32-2

3-METHYL-1-HEPTANOL

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250117 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1070-32-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1070-32-2 / 3-methylheptan-1-ol

3-Methyl-1-heptanol | 1-Heptanol, 3-methyl- | E9JH4FPA8D

Standard CAS: 1070-32-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1070-32-2
Multi CAS
No
Molecular Formula
C8H18O
Molecular Weight
130.230000
Exact Mass
130.135765
SMILES
CCCCC(C)CCO
InChI
InChI=1S/C8H18O/c1-3-4-5-8(2)6-7-9/h8-9H,3-7H2,1-2H3
InChIKey
MUPPEBVXFKNMCI-UHFFFAOYSA-N
Synonyms
3-Methyl-1-heptanol 1-Heptanol, 3-methyl- E9JH4FPA8D DTXSID10910207 RefChem:1068173

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.39
TPSA
20.23

LogP / Solubility

WLOGP
2.2
MLOGP
1.92
XLogP3
2.9
Consensus LogP
2.34
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-1.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us