CAS RN: 808118-40-3
Roxadustat
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS808118-40-3
- Purity/Analytical Methods: >99.0%
808118-40-3 / 2-[(4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carbonyl)amino]acetic acid
Basic Information
CAS
808118-40-3
Multi CAS
Yes
Molecular Formula
C19H16N2O5
Molecular Weight
352.300000
Exact Mass
352.105922
InChI
InChI=1S/C19H16N2O5/c1-11-15-9-13(26-12-5-3-2-4-6-12)7-8-14(15)18(24)17(21-11)19(25)20-10-16(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23)
InChIKey
YOZBGTLTNGAVFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
94.63
TPSA
108.75
LogP / Solubility
WLOGP
2.86
MLOGP
2.53
XLogP3
3.4
Consensus LogP
2.93
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
3-Hydroxy-4-methoxycarbonylbenzoic acid
- CAS RN: 808123-00-4
- Product Code: starshine_CAS808123-00-4
- Purity/Analytical method: >99.0%
-
1H-Isoindol-1-one, 4-broMo-2,3-dihydro-6-Methoxy-
- CAS RN: 808127-75-5
- Product Code: SSC-189456
-
-
2-Thiazolecarboxylic acid,4-(3-bromophenyl)-
- CAS RN: 808128-00-9
- Product Code: SSC-189458
-
N2-METHYL-DG CEP
- CAS RN: 808132-80-1
- Product Code: starshine_CAS808132-80-1
- Purity/Analytical method: >99.0%
-
Benzenamine, 5-bromo-2-methoxy-4-methyl- (9CI)
- CAS RN: 808133-98-4
- Product Code: starshine_CAS808133-98-4
- Purity/Analytical method: >99.0%
