CAS RN: 104668-88-4
7,3′-Di-O-Methylorobol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260323 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS104668-88-4
- Purity/Analytical Methods: >99.0%
104668-88-4 / 5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one
7,3'-Di-O-methylorobol | 7,3'-Dimethylorobol | 5,4'-Dihydroxy-7,3'-dimethoxyisoflavone
Basic Information
CAS
104668-88-4
Multi CAS
Yes
Molecular Formula
C17H14O6
Molecular Weight
314.290000
Exact Mass
314.079038
SMILES
COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC(=C(C=C3)O)OC)O
InChI
InChI=1S/C17H14O6/c1-21-10-6-13(19)16-15(7-10)23-8-11(17(16)20)9-3-4-12(18)14(5-9)22-2/h3-8,18-19H,1-2H3
InChIKey
NMQZMHHAWZDJOJ-UHFFFAOYSA-N
Synonyms
7,3'-Di-O-methylorobol
7,3'-Dimethylorobol
5,4'-Dihydroxy-7,3'-dimethoxyisoflavone
5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one
RefChem:105497
Physical Properties
Melting Point
179 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
84.35
TPSA
89.13
LogP / Solubility
WLOGP
2.89
MLOGP
2.56
XLogP3
3
Consensus LogP
2.82
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
Iriflophene 3-C-beta-D-glucopyraside
- CAS RN: 104669-02-5
- Product Code: starshine_CAS104669-02-5
- Purity/Analytical method: >99.0%
-
-
Benzoic acid, 2-amino-3-bromo-, methyl ester
- CAS RN: 104670-74-8
- Product Code: SSC-006419
-
Cyclohexanecarboxamide, 4-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)methyl]-
- CAS RN: 104676-09-7
- Product Code: SSC-006424
-
-
5-AMINO-2-(TRIFLUOROMETHOXY)BENZOTRIFLUORIDE
- CAS RN: 104678-68-4
- Product Code: SSC-006426
![CAS 104676-09-7 Cyclohexanecarboxamide, 4-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/104676-09-7.gif)
