CAS RN: 19573-01-4
BYAKANGELICIN
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS19573-01-4
- Purity/Analytical Methods: >99.0%
19573-01-4 / 9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one
Basic Information
CAS
19573-01-4
Multi CAS
No
Molecular Formula
C17H18O7
Molecular Weight
334.300000
Exact Mass
334.105253
SMILES
CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O
InChI
InChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3
InChIKey
PKRPFNXROFUNDE-UHFFFAOYSA-N
Physical Properties
Melting Point
117 - 118 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
13
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
86.61
TPSA
102.27
LogP / Solubility
WLOGP
2.06
MLOGP
1.83
XLogP3
1.6
Consensus LogP
1.83
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501
Customers Also Viewed
-
-
alpha,alpha,alpha’,alpha’,alpha”,alpha”-hexamethylbenzene-1,3,5-trimethanol
- CAS RN: 19576-38-6
- Product Code: SSC-092577
-
Piperazine, 1-methyl-4-[(2-nitrophenyl)methyl]-
- CAS RN: 19577-82-3
- Product Code: SSC-092578
-
-
-
1-(2-CHLOROPHENYL)BIGUANIDE HYDROCHLORIDE
- CAS RN: 19579-44-3
- Product Code: starshine_CAS19579-44-3
- Purity/Analytical method: >99.0%
![CAS 19577-82-3 Piperazine, 1-methyl-4-[(2-nitrophenyl)methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/19577-82-3.gif)
![CAS 19577-84-5 2-[(4-METHYLPIPERAZIN-1-YL)METHYL]ANILINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/19577-84-5.gif)
