CAS RN: 198476-84-5
Boc-L-Lysinol(2-Cl-Z)
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.20260118 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS198476-84-5
- Purity/Analytical Methods: >99.0%
198476-84-5 / tert-butyl N-[(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-1-hydroxyhexan-2-yl]carbamate
Basic Information
CAS
198476-84-5
Multi CAS
No
Molecular Formula
C19H29ClN2O5
Molecular Weight
400.900000
Exact Mass
400.176500
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1Cl)CO
InChI
InChI=1S/C19H29ClN2O5/c1-19(2,3)27-18(25)22-15(12-23)9-6-7-11-21-17(24)26-13-14-8-4-5-10-16(14)20/h4-5,8,10,15,23H,6-7,9,11-13H2,1-3H3,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKey
ZZPSJIPXZNNWPD-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
3
Molar refractivity
103.73
TPSA
96.89
LogP / Solubility
WLOGP
3.62
MLOGP
3.21
XLogP3
3.2
Consensus LogP
3.34
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.35
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
1-[4-(2-AZEPAN-1-YL-ETHOXY)-BENZYL]-5-BENZYLOXY-2-(4-BENZYLOXY-PHENYL)-3-METHYL-1H-INDOLE
- CAS RN: 198480-21-6
- Product Code: SSC-093525
-
Bazedoxifene
- CAS RN: 198481-32-2
- Product Code: starshine_CAS198481-32-2
- Purity/Analytical method: >99.0%
-
Carbamic acid, [(1R)-1-(cyanomethyl)propyl]-, 1,1-dimethylethyl ester (9CI)
- CAS RN: 198493-28-6
- Product Code: SSC-093534
-
N-BOC-ERYTHRO-D-BETA-METHYLPHENYLALANINE, 98
- CAS RN: 198493-85-5
- Product Code: SSC-093535
-
FMOC-(3S,4S)-4-AMINO-3-HYDROXY-5-PHENYL PENTANOIC ACID
- CAS RN: 198542-01-7
- Product Code: starshine_CAS198542-01-7
- Purity/Analytical method: >99.0%
![CAS 198480-21-6 1-[4-(2-AZEPAN-1-YL-ETHOXY)-BENZYL]-5-BENZYLOXY-2-(4-BENZYLOXY-PHENYL)-3-METHYL-1H-INDOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB81009554.gif)
![CAS 198493-28-6 Carbamic acid, [(1R)-1-(cyanomethyl)propyl]-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/198493-28-6.gif)
