![CAS 127211-03-4 [1,1′-Biphenanthrene]-2,2′,7,7′-tetrol,9,10-dihydro-4,4′-dimethoxy-, (-)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/127211-03-4.gif)
CAS RN: 127211-03-4
[1,1′-Biphenanthrene]-2,2′,7,7′-tetrol,9,10-dihydro-4,4′-dimethoxy-, (-)- (9CI)
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.20260130 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS127211-03-4
- Purity/Analytical Methods: >99.0%
127211-03-4 / 1-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol
Basic Information
CAS
127211-03-4
Multi CAS
No
Molecular Formula
C30H24O6
Molecular Weight
480.500000
Exact Mass
480.157288
SMILES
COC1=C2C(=C(C(=C1)O)C3=C4C=CC5=C(C4=C(C=C3O)OC)C=CC(=C5)O)CCC6=C2C=CC(=C6)O
InChI
InChI=1S/C30H24O6/c1-35-25-13-23(33)29(21-7-3-15-11-17(31)5-9-19(15)27(21)25)30-22-8-4-16-12-18(32)6-10-20(16)28(22)26(36-2)14-24(30)34/h3,5-7,9-14,31-34H,4,8H2,1-2H3
InChIKey
LCCDZCVHGDFKNQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
26
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
139.5
TPSA
99.38
LogP / Solubility
WLOGP
6.27
MLOGP
5.55
XLogP3
6.5
Consensus LogP
6.11
Log S (ESOL)
-7.1
Class (ESOL)
Insoluble
Log S (Ali)
-8.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.34
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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