CAS RN: 2194590-02-6
(R)-3-(4-(2-chloro-5-iodobenzyl)phenoxy)tetrahydrofuran
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260115 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2194590-02-6
- Purity/Analytical Methods: >99.0%
2194590-02-6 / (3R)-3-[4-[(2-chloro-5-iodophenyl)methyl]phenoxy]oxolane
Basic Information
CAS
2194590-02-6
Multi CAS
No
Molecular Formula
C17H16ClIO2
Molecular Weight
414.700000
Exact Mass
413.988360
SMILES
C1COC[C@@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)I)Cl
InChI
InChI=1S/C17H16ClIO2/c18-17-6-3-14(19)10-13(17)9-12-1-4-15(5-2-12)21-16-7-8-20-11-16/h1-6,10,16H,7-9,11H2/t16-/m1/s1
InChIKey
YLUHNGIWRCCQMQ-MRXNPFEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
93.27
TPSA
18.46
LogP / Solubility
WLOGP
4.7
MLOGP
4.16
XLogP3
5.1
Consensus LogP
4.65
Log S (ESOL)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.74
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.91
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
-
H3B-120
- CAS RN: 2194903-42-7
- Product Code: starshine_CAS2194903-42-7
- Purity/Analytical method: >99.0%
-
-
5′-(4-formylphenyl)-2′,4′,6′-triethyl-[1,1′: 3′,1”-triphenyl] -4,4”-di formaldehyde
- CAS RN: 2195343-69-0
- Product Code: starshine_CAS2195343-69-0
- Purity/Analytical method: >99.0%
-
5′-(4-formylphenyl)-2′,4′,6′-trimethyl-[1,1′:3′,1”-terphenyl]-4,4”-dicarbaldehyde
- CAS RN: 2195343-70-3
- Product Code: starshine_CAS2195343-70-3
- Purity/Analytical method: >99.0%
-
propyl 2-amino-2-methylpropanoate hydrochloride
- CAS RN: 2195367-27-0
- Product Code: SSC-105580
-
2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 6-hydroxy-, phenylmethyl ester, (1R,4S,6R)-
- CAS RN: 2195385-11-4
- Product Code: SSC-105586
![CAS 2195343-69-0 5′-(4-formylphenyl)-2′,4′,6′-triethyl-[1,1′: 3′,1”-triphenyl] -4,4”-di formaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2195343-69-0.png)
![CAS 2195343-70-3 5′-(4-formylphenyl)-2′,4′,6′-trimethyl-[1,1′:3′,1”-terphenyl]-4,4”-dicarbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2195343-70-3.png)
![CAS 2195385-11-4 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 6-hydroxy-, phenylmethyl ester, (1R,4S,6R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2195385-11-4.gif)