CAS RN: 1001666-74-5
4-oxo-cyclopentane-cis-1,2-dicarboxylic acid dimethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251119 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1001666-74-5
- Purity/Analytical Methods: >99.0%
1001666-74-5 / cis-dimethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate | (1S,2S)-Dimethyl 4-oxocyclopentane-1,2-dicarboxylate | (1S,2S)-4-Oxo-cyclopentane-1,2-dicarboxylic acid dimethyl ester
Basic Information
CAS
1001666-74-5
Multi CAS
Yes
Molecular Formula
C9H12O5
Molecular Weight
200.190000
Exact Mass
200.068473
SMILES
COC(=O)[C@@H]1CC(=O)C[C@@H]1C(=O)OC
InChI
InChI=1S/C9H12O5/c1-13-8(11)6-3-5(10)4-7(6)9(12)14-2/h6-7H,3-4H2,1-2H3/t6-,7+
InChIKey
GMKJWKXCHOWVDN-KNVOCYPGSA-N
Synonyms
dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate
(1S,2S)-Dimethyl 4-oxocyclopentane-1,2-dicarboxylate
(1S,2S)-4-Oxo-cyclopentane-1,2-dicarboxylic acid dimethyl ester
MFCD18909538
1,2-Cyclopentanedicarboxylic acid, 4-oxo-, 1,2-dimethyl ester, (1S,2S)-
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
45.25
TPSA
69.67
LogP / Solubility
WLOGP
-0.07
MLOGP
-0.06
XLogP3
-0.6
Consensus LogP
-0.24
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
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)
-3.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
![CAS 1001667-24-8 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-Cyclopropanecarboxylic acid molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-Cyclopropanecarboxylic acid
- CAS RN: 1001667-24-8
- Product Code: starshine_CAS1001667-24-8
- Purity/Analytical method: >99.0%
-
N-(4-Mesitylthiazol-2-yl)benzaMide
- CAS RN: 1001753-24-7
- Product Code: starshine_CAS1001753-24-7
- Purity/Analytical method: >99.0%
-
1-(TERT-BUTOXYCARBONYL)-3-FLUOROPYRROLIDINE-3-CARBOXYLIC ACID
- CAS RN: 1001754-59-1
- Product Code: SSC-000580
-
-
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
- CAS RN: 1001754-82-0
- Product Code: SSC-000582
-
3-methylimidazo[1,2-a]pyridine-2-carbaldehyde
- CAS RN: 1001754-85-3
- Product Code: SSC-000583
![CAS 1001667-24-8 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-Cyclopropanecarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1001667-24-8.gif)
![CAS 1001754-72-8 2-[2-(4-piperidinyl)ethyl]-Pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1001754-72-8.gif)
![CAS 1001754-85-3 3-methylimidazo[1,2-a]pyridine-2-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1001754-85-3.gif)