CAS RN: 176199-35-2
Boc-4′-iodo-D-Phe
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-077204
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: 5g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
176199-35-2 / (2R)-3-(4-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Basic Information
CAS
176199-35-2
Multi CAS
No
Molecular Formula
C14H18INO4
Molecular Weight
391.200000
Exact Mass
391.028060
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC=C(C=C1)I)C(=O)O
InChI
InChI=1S/C14H18INO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChIKey
JZLZDBGQWRBTHN-LLVKDONJSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
83.66
TPSA
75.63
LogP / Solubility
WLOGP
2.81
MLOGP
2.5
XLogP3
2.5
Consensus LogP
2.6
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
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)
-3.11
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
2
Customers Also Viewed
-
![CAS 1800333-59-8 9-methylspiro[benzo[c]fluorene-7,9′-xanthene] molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
9-methylspiro[benzo[c]fluorene-7,9′-xanthene]
- CAS RN: 1800333-59-8
- Product Code: starshine_CAS1800333-59-8
- Purity/Analytical method: >99.0%
-
-
-
DECOYININE
- CAS RN: 2004-04-8
- Product Code: starshine_CAS2004-04-8
- Purity/Analytical method: >99.0%
-
-
N,N-DIMETHYLFORMAMIDE DIBENZYL ACETAL
- CAS RN: 2016-04-8
- Product Code: starshine_CAS2016-04-8
- Purity/Analytical method: >99.0%
![CAS 1800333-59-8 9-methylspiro[benzo[c]fluorene-7,9′-xanthene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1800333-59-8.png)
