CAS RN: 1069858-99-6
ML359
Product Availability
Choose a grade to view its available package options.
11 package records10 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260321 | 10mg | In stock | Inquiry | ||
| Batchno.20251128 | 1mg | In stock | Inquiry | ||
| Batchno.20251103 | 25mg | In stock | Inquiry | ||
| Batchno.20260319 | 50mg | In stock | Inquiry | ||
| Batchno.20250918 | 5mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260427 | 5mg | In stock | Inquiry |
- Product code: starshine_CAS1069858-99-6
- Purity/Analytical Methods: >99.0%
1069858-99-6 / ethyl 1-[(3-chloro-4-hydroxyphenyl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate
ML359 | ethyl 1-(3-chloro-4-hydroxybenzyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate | SMR000496762
Basic Information
CAS
1069858-99-6
Multi CAS
Yes
Molecular Formula
C23H28ClNO4
Molecular Weight
417.900000
Exact Mass
417.170686
SMILES
CCOC(=O)C1(CCN(CC1)CC2=CC(=C(C=C2)O)Cl)CCOC3=CC=CC=C3
InChI
InChI=1S/C23H28ClNO4/c1-2-28-22(27)23(12-15-29-19-6-4-3-5-7-19)10-13-25(14-11-23)17-18-8-9-21(26)20(24)16-18/h3-9,16,26H,2,10-15,17H2,1H3
InChIKey
DCLHRRNJOZJGKD-UHFFFAOYSA-N
Synonyms
ML359
ethyl 1-(3-chloro-4-hydroxybenzyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate
SMR000496762
MLS000998839
MLS004820109
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
113.25
TPSA
59
LogP / Solubility
WLOGP
4.66
MLOGP
4.13
XLogP3
4.6
Consensus LogP
4.46
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.2
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 1070165-89-7 Pyrrolo[1,2-a]pyrazin-7-ol, octahydro-, hydrochloride (1:2), (7R,8aS)- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Pyrrolo[1,2-a]pyrazin-7-ol, octahydro-, hydrochloride (1:2), (7R,8aS)-
- CAS RN: 1070165-89-7
- Product Code: SSC-008483
-
2,8-Diazaspiro[4.5]decan-1-one, 2-(phenylmethyl)-, hydrochloride (1:1)
- CAS RN: 1070166-08-3
- Product Code: SSC-008484
-
tert-butyl (3S,5R)-5-(hydroxymethyl)pyrrolidin-3-ylcarbamate
- CAS RN: 1070295-74-7
- Product Code: SSC-008495
-
-
4-[(4-Chlorophenyl)-2-pyridinylmethoxy]-1-piperidinebutanoic acid
- CAS RN: 1070505-53-1
- Product Code: SSC-008504
-
2-Iodo-2′,4′,6′-triisopropyl-3,6-diMethoxy-1,1′-biphenyl
- CAS RN: 1070663-76-1
- Product Code: SSC-008506
![CAS 1070165-89-7 Pyrrolo[1,2-a]pyrazin-7-ol, octahydro-, hydrochloride (1:2), (7R,8aS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1070165-89-7.gif)
![CAS 1070166-08-3 2,8-Diazaspiro[4.5]decan-1-one, 2-(phenylmethyl)-, hydrochloride (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1070166-08-3.gif)
![CAS 1070505-53-1 4-[(4-Chlorophenyl)-2-pyridinylmethoxy]-1-piperidinebutanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1070505-53-1.gif)
