CAS RN: 1961305-60-1
Evofolin B
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.20260102 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1961305-60-1
- Purity/Analytical Methods: >99.0%
1961305-60-1 / 3-hydroxy-1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one
Basic Information
CAS
1961305-60-1
Multi CAS
No
Molecular Formula
C17H18O6
Molecular Weight
318.320000
Exact Mass
318.110338
SMILES
COC1=C(C=CC(=C1)C(CO)C(=O)C2=CC(=C(C=C2)O)OC)O
InChI
InChI=1S/C17H18O6/c1-22-15-7-10(3-5-13(15)19)12(9-18)17(21)11-4-6-14(20)16(8-11)23-2/h3-8,12,18-20H,9H2,1-2H3/t12-/m0/s1
InChIKey
QMYGRGKKZBRZKH-LBPRGKRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
83.47
TPSA
96.22
LogP / Solubility
WLOGP
2.07
MLOGP
1.84
XLogP3
1.8
Consensus LogP
1.9
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
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)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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![CAS 1962925-29-6 (2S)-2-[[(2S)-6,8-Difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]amino]-N-[1-[2-[(2,2-dimethylpropyl)amino]-1,1-dimethylethyl]-1H-imidazol-4-yl]pentanamide dihydrobromide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1962925-29-6.gif)
