CAS RN: 1203490-23-6
(R)-3-(4-(2-(4-((S)-3-chloro-2-hydroxypropoxy)phenyl)propan-2-yl)phenoxy)propane-1,2-diol
Product Availability
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7 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250805 | 100mg | Out of stock | Inquiry | ||
| Batchno.20251218 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250829 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250208 | 25mg | Out of stock | Inquiry | ||
| Batchno.20251004 | 25mg / 50mg / 100mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250904 | 50mg | Out of stock | Inquiry | ||
| Batchno.20250330 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1203490-23-6
- Purity/Analytical Methods: >99.0%
1203490-23-6 / (2R)-3-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol
EPI-001 | 3-[4-[1-[4-(3-Chloro-2-hydroxypropoxy)phenyl]-1-methylethyl]phenoxy]-1,2-propanediol | A9PRH4DC8H
Basic Information
CAS
1203490-23-6
Multi CAS
Yes
Molecular Formula
C21H27ClO5
Molecular Weight
394.900000
Exact Mass
394.154702
SMILES
CC(C)(C1=CC=C(C=C1)OC[C@@H](CO)O)C2=CC=C(C=C2)OC[C@@H](CCl)O
InChI
InChI=1S/C21H27ClO5/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,23-25H,11-14H2,1-2H3/t17-,18-/m1/s1
InChIKey
HDTYUHNZRYZEEB-QZTJIDSGSA-N
Synonyms
EPI-001
3-[4-[1-[4-(3-Chloro-2-hydroxypropoxy)phenyl]-1-methylethyl]phenoxy]-1,2-propanediol
A9PRH4DC8H
3-(4-(1-(4-(3-CHLORO-2-HYDROXYPROPOXY)PHENYL)-1-METHYLETHYL)PHENOXY)-1,2-PROPANEDIOL
RefChem:569539
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
3
Molar refractivity
105.82
TPSA
79.15
LogP / Solubility
WLOGP
2.72
MLOGP
2.42
XLogP3
3.3
Consensus LogP
2.81
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.2
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
3.5
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