[email protected]
CAS 88315-64-4 1S,2R)-cis-2-Methoxycarbonyl-cyclopentane-1-carboxylic acid molecular structure lightbox
CAS RN: 88315-64-4

1S,2R)-cis-2-Methoxycarbonyl-cyclopentane-1-carboxylic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250109 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS88315-64-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

88315-64-4 / cis-(1S,2R)-2-methoxycarbonylcyclopentane-1-carboxylic acid

Standard CAS: 88315-64-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88315-64-4
Multi CAS
Yes
Molecular Formula
C8H12O4
Molecular Weight
172.180000
Exact Mass
172.073559
InChI
InChI=1S/C8H12O4/c1-12-8(11)6-4-2-3-5(6)7(9)10/h5-6H,2-4H2,1H3,(H,9,10)
InChIKey
KYGFHAUBFNTXFK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.48
TPSA
63.6

LogP / Solubility

WLOGP
0.66
MLOGP
0.58
XLogP3
0.6
Consensus LogP
0.61
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-3.3

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