CAS RN: 178306-49-5
Ambrisentan Impurity 3
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260422 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS178306-49-5
- Purity/Analytical Methods: >99.0%
178306-49-5 / (2R)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid
Basic Information
CAS
178306-49-5
Multi CAS
No
Molecular Formula
C16H16O4
Molecular Weight
272.290000
Exact Mass
272.104859
SMILES
COC(C1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C(=O)O)O
InChI
InChI=1S/C16H16O4/c1-20-16(14(17)15(18)19,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14,17H,1H3,(H,18,19)/t14-/m0/s1
InChIKey
RQJWOLFMWKZKCJ-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
74.32
TPSA
66.76
LogP / Solubility
WLOGP
2.02
MLOGP
1.79
XLogP3
2
Consensus LogP
1.94
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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