CAS RN: 7470-14-6
3-PHENANTHRENECARBOXYLIC ACID
Product Availability
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9 package records7 with current stock4 grade groups
- Product code: starshine_CAS7470-14-6
- Purity/Analytical Methods: >99.0%
7470-14-6 / phenanthrene-3-carboxylic acid
Basic Information
CAS
7470-14-6
Multi CAS
No
Molecular Formula
C15H10O2
Molecular Weight
222.240000
Exact Mass
222.068080
InChI
InChI=1S/C15H10O2/c16-15(17)12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H,(H,16,17)
InChIKey
WYQIVZKSGGKUAX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.41
TPSA
37.3
LogP / Solubility
WLOGP
3.69
MLOGP
3.25
XLogP3
4.5
Consensus LogP
3.81
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly 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)
-1.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 7477/10/3
- Product Code: starshine_CAS7477-10-3
- Purity/Analytical method: >99.0%
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