CAS RN: 176299-96-0
4-Methoxyphenyl 4,6-O-Benzylidene-β-D-galactopyranoside
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.20260224 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: ICTM1710
176299-96-0 / (4aS,6S,7S,8R,8aR)-6-(4-methoxyphenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
Basic Information
CAS
176299-96-0
Multi CAS
No
Molecular Formula
C20H22O7
Molecular Weight
374.400000
Exact Mass
374.136553
SMILES
COC1=CC=C(C=C1)O[C@H]2[C@H]([C@H]([C@@H]3[C@@H](O2)COC(O3)C4=CC=CC=C4)O)O
InChI
InChI=1S/C20H22O7/c1-23-13-7-9-14(10-8-13)25-20-17(22)16(21)18-15(26-20)11-24-19(27-18)12-5-3-2-4-6-12/h2-10,15-22H,11H2,1H3/t15-,16+,17-,18-,19?,20+/m0/s1
InChIKey
YHRLBNMWLPNUFF-GLNIJSSQSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
2
Molar refractivity
94.3
TPSA
86.61
LogP / Solubility
WLOGP
1.63
MLOGP
1.46
XLogP3
1.7
Consensus LogP
1.6
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
Customers Also Viewed
-
2,3,4,6-Tetra-O-acetyl-α-D-galactopyranosyl 2,2,2-Trichloroacetimidate
- CAS RN: 86520-63-0
- Product Code: SSC-195662
-
Phenyl 4,6-O-Benzylidene-1-thio-β-D-glucopyranoside
- CAS RN: 87508-17-6
- Product Code: SSC-197576
-
4-Methoxyphenyl 2-O-Benzoyl-3,6-di-O-benzyl-β-D-glucopyranoside
- CAS RN: 1393898-89-9
- Product Code: ICTM2434
-
Phenyl 2,3,4,6-Tetra-O-acetyl-1-thio-β-D-glucopyranoside
- CAS RN: 23661-28-1
- Product Code: SSC-115134
-
Benzyl 2,3-Di-O-benzyl-4,6-O-benzylidene-β-D-glucopyranoside
- CAS RN: 183953-29-9
- Product Code: ICTB4170
-
2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl 2,2,2-Trichloroacetimidate
- CAS RN: 92052-29-4
- Product Code: SSC-205641
