CAS RN: 627538-65-2
Epitrametol
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.20251102 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS627538-65-2
- Purity/Analytical Methods: >99.0%
627538-65-2 / 1-(3-chloro-4-methoxyphenyl)propane-1,2-diol
Basic Information
CAS
627538-65-2
Multi CAS
Yes
Molecular Formula
C10H13CLO3
Molecular Weight
216.660000
Exact Mass
216.055322
InChI
InChI=1S/C10H13ClO3/c1-6(12)10(13)7-3-4-9(14-2)8(11)5-7/h3-6,10,12-13H,1-2H3/t6-,10+/m1/s1
InChIKey
AZXJGOGDICMETN-LDWIPMOCSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.64
TPSA
49.69
LogP / Solubility
WLOGP
1.76
MLOGP
1.55
XLogP3
1.4
Consensus LogP
1.57
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
2-Oxazolidinone, 5-(aMinoMethyl)-3-(3-fluoro-4-iodophenyl)-, (5S)-
- CAS RN: 627543-03-7
- Product Code: starshine_CAS627543-03-7
- Purity/Analytical method: >99.0%
-
5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-amine
- CAS RN: 627544-97-2
- Product Code: SSC-172078
-
-
-
2-{4-[3-(dimethylamino)propoxy]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- CAS RN: 627899-90-5
- Product Code: SSC-172113
-
2-Methyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenol
- CAS RN: 627906-52-9
- Product Code: SSC-172117
![CAS 627544-97-2 5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/627544-97-2.gif)
![CAS 627899-90-5 2-{4-[3-(dimethylamino)propoxy]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/627899-90-5.gif)
