![CAS 1279691-35-8 1-chloro-4-(β-D-glucopyranos-1-yl)-2-[4-((S)-tetrahydrofuran-3-yloxy)benzyl]benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1279691-35-8.gif)
CAS RN: 1279691-35-8
1-chloro-4-(β-D-glucopyranos-1-yl)-2-[4-((S)-tetrahydrofuran-3-yloxy)benzyl]benzene
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.20250611 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1279691-35-8
- Purity/Analytical Methods: >99.0%
1279691-35-8 / (2S,3R,4S,5S,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Basic Information
CAS
1279691-35-8
Multi CAS
No
Molecular Formula
C23H27ClO8
Molecular Weight
466.900000
Exact Mass
466.139446
SMILES
C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)Cl
InChI
InChI=1S/C23H27ClO8/c24-18-6-3-15(23(29)22(28)21(27)20(26)19(11-25)32-23)10-14(18)9-13-1-4-16(5-2-13)31-17-7-8-30-12-17/h1-6,10,17,19-22,25-29H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1
InChIKey
YZGOOQZXQOPQNT-QZMOQZSNSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
5
Molar refractivity
114.43
TPSA
128.84
LogP / Solubility
WLOGP
0.72
MLOGP
0.66
XLogP3
1.3
Consensus LogP
0.89
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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