CAS RN: 1174013-24-1
(R)-Methyl 3-cyclopentyl-2-hydroxypropanoate
- Product code: SSC-017244
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1174013-24-1 / methyl (2R)-3-cyclopentyl-2-hydroxypropanoate
(R)-METHYL 3-CYCLOPENTYL-2-HYDROXYPROPANOATE | SCHEMBL1711658 | GWTJBKFLOXKLBT-MRVPVSSYSA-N
Basic Information
CAS
1174013-24-1
Multi CAS
Yes
Molecular Formula
C9H16O3
Molecular Weight
172.220000
Exact Mass
172.109944
SMILES
COC(=O)[C@@H](CC1CCCC1)O
InChI
InChI=1S/C9H16O3/c1-12-9(11)8(10)6-7-4-2-3-5-7/h7-8,10H,2-6H2,1H3/t8-/m1/s1
InChIKey
GWTJBKFLOXKLBT-MRVPVSSYSA-N
Synonyms
(R)-METHYL 3-CYCLOPENTYL-2-HYDROXYPROPANOATE
SCHEMBL1711658
GWTJBKFLOXKLBT-MRVPVSSYSA-N
MFCD22666202
SY419020
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.6
TPSA
46.53
LogP / Solubility
WLOGP
1.1
MLOGP
0.97
XLogP3
2.1
Consensus LogP
1.39
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
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)
-2.99
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
-
Artoheterophyllin B
- CAS RN: 1174017-37-8
- Product Code: starshine_CAS1174017-37-8
- Purity/Analytical method: >99.0%
-
-
trans-6-benzyloxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid
- CAS RN: 1174020-25-7
- Product Code: SSC-017247
-
(R)-tert-butyl 4-aMinoazepane-1-carboxylate
- CAS RN: 1174020-26-8
- Product Code: SSC-017248
-
Cis-(3R, 4S)-1-Boc-3-aMino-4-hydroxypyrrolidine
- CAS RN: 1174020-29-1
- Product Code: SSC-017249
-
![CAS 1174020-25-7 trans-6-benzyloxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1174020-25-7.gif)
