CAS RN: 73731-86-9
Broussonin B
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: starshine_CAS73731-86-9
- Purity/Analytical Methods: >99.0%
73731-86-9 / 4-[3-(4-hydroxyphenyl)propyl]-3-methoxyphenol
Basic Information
CAS
73731-86-9
Multi CAS
No
Molecular Formula
C16H18O3
Molecular Weight
258.310000
Exact Mass
258.125594
InChI
InChI=1S/C16H18O3/c1-19-16-11-15(18)10-7-13(16)4-2-3-12-5-8-14(17)9-6-12/h5-11,17-18H,2-4H2,1H3
InChIKey
CJJJQWAYMRTLJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
74.79
TPSA
49.69
LogP / Solubility
WLOGP
3.28
MLOGP
2.89
XLogP3
3.9
Consensus LogP
3.36
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
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)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
Broussonin A
- CAS RN: 73731-87-0
- Product Code: starshine_CAS73731-87-0
- Purity/Analytical method: >99.0%
-
-
-
ethyl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate
- CAS RN: 73734-07-3
- Product Code: starshine_CAS73734-07-3
- Purity/Analytical method: >99.0%
-
Phenol, 4-(2-(4-((1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)amin o)-1-piperidinyl)ethyl)-
- CAS RN: 73736-50-2
- Product Code: starshine_CAS73736-50-2
- Purity/Analytical method: >99.0%
-
Primidone-D5
- CAS RN: 73738-06-4
- Product Code: starshine_CAS73738-06-4
- Purity/Analytical method: >99.0%
