CAS RN: 81834-79-9
7-(3-hydroxy-5-oxo-1-cyclopenten-1-yl)-(5Z)–Heptenoic acid-1-Methylethyl ester
- Product code: SSC-190138
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.05g, 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 9
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.05g | -- | 5 In Stock | Hong Kong | Inquiry |
| 0.05g | >95% | 5 In Stock | Beijing | Inquiry |
| 0.1g | -- | 5 In Stock | Shenzhen | Inquiry |
| 0.1g | >95% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 5 In Stock | Beijing | Inquiry |
| 1g | -- | 5 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 1 In Stock | Beijing | Inquiry |
81834-79-9 / propan-2-yl (Z)-7-(3-hydroxy-5-oxocyclopenten-1-yl)hept-5-enoate
Basic Information
CAS
81834-79-9
Multi CAS
Yes
Molecular Formula
C15H22O4
Molecular Weight
266.330000
Exact Mass
266.151809
InChI
InChI=1S/C15H22O4/c1-11(2)19-15(18)8-6-4-3-5-7-12-9-13(16)10-14(12)17/h3,5,9,11,13,16H,4,6-8,10H2,1-2H3/b5-3-
InChIKey
HFDZDSYCBJZTAQ-HYXAFXHYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.6
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
72.55
TPSA
63.6
LogP / Solubility
WLOGP
2.31
MLOGP
2.04
XLogP3
1.6
Consensus LogP
1.98
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly 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)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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