[email protected]
CAS 1072-59-9 1-Methoxy-1-cyclopentene molecular structure lightbox
CAS RN: 1072-59-9

1-Methoxy-1-cyclopentene

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250510 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1072-59-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1072-59-9 / 1-methoxycyclopentene

1-Methoxycyclopentene | DTXSID00147944 | RefChem:1055706

Standard CAS: 1072-59-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1072-59-9
Multi CAS
No
Molecular Formula
C6H10O
Molecular Weight
98.140000
Exact Mass
98.073165
SMILES
COC1=CCCC1
InChI
InChI=1S/C6H10O/c1-7-6-4-2-3-5-6/h4H,2-3,5H2,1H3
InChIKey
GKIATJNLLNNGJV-UHFFFAOYSA-N
Synonyms
1-Methoxycyclopentene DTXSID00147944 RefChem:1055706 DTXCID6070435 1-Methoxy-1-cyclopentene

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
28.94
TPSA
9.23

LogP / Solubility

WLOGP
1.7
MLOGP
1.48
XLogP3
1.4
Consensus LogP
1.53
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
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)
-2.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us