![CAS 190579-73-8 L-Alanine, 3-iodo-N-[(phenylmethoxy)carbonyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/190579-73-8.gif)
CAS RN: 190579-73-8
L-Alanine, 3-iodo-N-[(phenylmethoxy)carbonyl]-, 1,1-dimethylethyl ester
- Product code: SSC-089206
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 | Beijing | Inquiry |
190579-73-8 / tert-butyl (2R)-3-iodo-2-(phenylmethoxycarbonylamino)propanoate
Basic Information
CAS
190579-73-8
Multi CAS
No
Molecular Formula
C15H20INO4
Molecular Weight
405.230000
Exact Mass
405.043710
SMILES
CC(C)(C)OC(=O)[C@H](CI)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C15H20INO4/c1-15(2,3)21-13(18)12(9-16)17-14(19)20-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,19)/t12-/m0/s1
InChIKey
VXVJEQMTGWWUFP-LBPRGKRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
88.28
TPSA
64.63
LogP / Solubility
WLOGP
3.06
MLOGP
2.72
XLogP3
3.5
Consensus LogP
3.09
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.43
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.02
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
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![CAS 190595-65-4 (3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/190595-65-4.gif)
![CAS 190598-55-1 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 2,5-dioxo-3-sulfo-1-pyrrolidinyl ester, (3aS,4S,6aR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/190598-55-1.gif)
