CAS RN: 1007358-76-0
(R)-AMbrisentan
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.20250228 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1007358-76-0
- Purity/Analytical Methods: >99.0%
1007358-76-0 / (2R)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoic acid
7B43003091 | Benzenepropanoic acid, alpha-((4,6-dimethyl-2-pyrimidinyl)oxy)-beta-methoxy-beta-phenyl- | (+-)-ambrisentan
Basic Information
CAS
1007358-76-0
Multi CAS
Yes
Molecular Formula
C22H22N2O4
Molecular Weight
378.400000
Exact Mass
378.157957
SMILES
CC1=CC(=NC(=N1)O[C@@H](C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C
InChI
InChI=1S/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m0/s1
InChIKey
OUJTZYPIHDYQMC-IBGZPJMESA-N
Synonyms
7B43003091
Benzenepropanoic acid, alpha-((4,6-dimethyl-2-pyrimidinyl)oxy)-beta-methoxy-beta-phenyl-
(+-)-ambrisentan
ambrisentan, (+-)-
Ambrisentan, (A+-)-
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
104.23
TPSA
81.54
LogP / Solubility
WLOGP
3.52
MLOGP
3.12
XLogP3
3.8
Consensus LogP
3.48
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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