CAS RN: 13001-29-1
2-(2,4,6-TRICHLORO PHENOXY)CHLOROETHANE
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.20250117 | 1g / 5g / 25g / 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS13001-29-1
- Purity/Analytical Methods: >99.0%
13001-29-1 / 1,3,5-trichloro-2-(2-chloroethoxy)benzene
Basic Information
CAS
13001-29-1
Multi CAS
No
Molecular Formula
C8H6Cl4O
Molecular Weight
259.900000
Exact Mass
259.914325
SMILES
C1=C(C=C(C(=C1Cl)OCCCl)Cl)Cl
InChI
InChI=1S/C8H6Cl4O/c9-1-2-13-8-6(11)3-5(10)4-7(8)12/h3-4H,1-2H2
InChIKey
YNJGVSWHTYTTDC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
57.69
TPSA
9.23
LogP / Solubility
WLOGP
4.26
MLOGP
3.76
XLogP3
4.6
Consensus LogP
4.21
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
1-(2-Cyanostyryl)-4-(4-cyanostyryl)benzene
- CAS RN: 13001-38-2
- Product Code: starshine_CAS13001-38-2
- Purity/Analytical method: >99.0%
-
1,4-Bis(2-cyanostyryl)benzene
- CAS RN: 13001-39-3
- Product Code: starshine_CAS13001-39-3
- Purity/Analytical method: >99.0%
-
-
Potassium O-Isobutyl Dithiocarbonate
- CAS RN: 13001-46-2
- Product Code: starshine_CAS13001-46-2
- Purity/Analytical method: >99.0%
-
![CAS 13003-12-8 butylidenebis[2-tert-butyl-5-methyl-p-phenylene]-P,P,P’,P’-tetratridecylbis(phosphine) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/13003-12-8.gif)
butylidenebis[2-tert-butyl-5-methyl-p-phenylene]-P,P,P’,P’-tetratridecylbis(phosphine)
- CAS RN: 13003-12-8
- Product Code: starshine_CAS13003-12-8
- Purity/Analytical method: >99.0%
-
Dehydrocorydaline nitrate
- CAS RN: 13005-09-9
- Product Code: starshine_CAS13005-09-9
- Purity/Analytical method: >99.0%