CAS RN: 4753-19-9
4-pyridoxic acid lactone
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: starshine_CAS4753-19-9
- Purity/Analytical Methods: >99.0%
4753-19-9 / 7-hydroxy-6-methyl-3H-furo[3,4-c]pyridin-1-one
Basic Information
CAS
4753-19-9
Multi CAS
No
Molecular Formula
C8H7NO3
Molecular Weight
165.150000
Exact Mass
165.042593
InChI
InChI=1S/C8H7NO3/c1-4-7(10)6-5(2-9-4)3-12-8(6)11/h2,10H,3H2,1H3
InChIKey
HHPDVQLBYQFYFA-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
4
H-bond donors
1
Molar refractivity
39.76
TPSA
59.42
LogP / Solubility
WLOGP
0.77
MLOGP
0.67
XLogP3
0.9
Consensus LogP
0.78
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18
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
-
-
-
-
-
Dimetacrine
- CAS RN: 4757-55-5
- Product Code: starshine_CAS4757-55-5
- Purity/Analytical method: >99.0%
-
DIHYDROATISINE HCl
- CAS RN: 4758-99-0
- Product Code: starshine_CAS4758-99-0
- Purity/Analytical method: >99.0%
