CAS RN: 387350-60-9
2-METHYL-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID MONOHYDRATE
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: starshine_CAS387350-60-9
- Purity/Analytical Methods: >99.0%
387350-60-9 / 2-methyl-1,8-naphthyridine-3-carboxylic acid
Basic Information
CAS
387350-60-9
Multi CAS
Yes
Molecular Formula
C10H8N2O2
Molecular Weight
188.180000
Exact Mass
188.058578
InChI
InChI=1S/C10H8N2O2/c1-6-8(10(13)14)5-7-3-2-4-11-9(7)12-6/h2-5H,1H3,(H,13,14)
InChIKey
STQOBEMCYUGNTL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.23
TPSA
63.08
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
1.4
Consensus LogP
1.49
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
1-(Cloromethyl)-4,5-dihydro-1H-imidazole hydrochloride
- CAS RN: 387350-92-7
- Product Code: SSC-146348
-
-
N-(4,6-DIMETHYLPYRIMIDIN-2-YL)-N-ETHYLBENZENE-1,4-DIAMINE
- CAS RN: 387358-43-2
- Product Code: starshine_CAS387358-43-2
- Purity/Analytical method: >99.0%
-
N-CYCLOPROPYL-1-METHYLPIPERIDIN-4-AMINE
- CAS RN: 387358-48-7
- Product Code: starshine_CAS387358-48-7
- Purity/Analytical method: >99.0%
-
