![CAS 147636-36-0 1-[(4-METHYLPHENYL)SULFONYL]-4-PIPERIDINECARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/147636-36-0.gif)
CAS RN: 147636-36-0
1-[(4-METHYLPHENYL)SULFONYL]-4-PIPERIDINECARBOXYLIC ACID
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.20260524 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-058203
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 | Hong Kong | Inquiry |
147636-36-0 / 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylic acid
Basic Information
CAS
147636-36-0
Multi CAS
No
Molecular Formula
C13H17NO4S
Molecular Weight
283.350000
Exact Mass
283.087829
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O
InChI
InChI=1S/C13H17NO4S/c1-10-2-4-12(5-3-10)19(17,18)14-8-6-11(7-9-14)13(15)16/h2-5,11H,6-9H2,1H3,(H,15,16)
InChIKey
YJRQMKSUAIKDDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.3
TPSA
74.68
LogP / Solubility
WLOGP
1.48
MLOGP
1.31
XLogP3
1.5
Consensus LogP
1.43
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER HYDROCHLORIDE
- CAS RN: 147636-76-8
- Product Code: SSC-058204
-
-
-
(S)-Piperazine-2-carboxylic acid
- CAS RN: 147650-70-2
- Product Code: starshine_CAS147650-70-2
- Purity/Analytical method: >99.0%
-
CALCIPOTRIOL MONOHYDRATE
- CAS RN: 147657-22-5
- Product Code: starshine_CAS147657-22-5
- Purity/Analytical method: >99.0%
-
3-(2-Chloroethyl)-7-methoxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
- CAS RN: 147662-99-5
- Product Code: SSC-058209
![CAS 147662-99-5 3-(2-Chloroethyl)-7-methoxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/147662-99-5.gif)