CAS RN: 2271248-78-1
Dapagliflozin Impurity 14
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.20250310 | 25mg / 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2271248-78-1
- Purity/Analytical Methods: >99.0%
2271248-78-1 / (3R,4R,5R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
Basic Information
CAS
2271248-78-1
Multi CAS
No
Molecular Formula
C21H25ClO6
Molecular Weight
408.900000
Exact Mass
408.133966
SMILES
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3[C@@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O)Cl
InChI
InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)20-18(25)19(26)21(28-20)17(24)11-23/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19-,20?,21-/m1/s1
InChIKey
RRYZEJFQBYDTNH-ISCVKXCMSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
4
Molar refractivity
104.59
TPSA
99.38
LogP / Solubility
WLOGP
1.84
MLOGP
1.65
XLogP3
2.3
Consensus LogP
1.93
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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