CAS RN: 159922-67-5
4-Methoxyphenyl 3,4-O-Isopropylidene-β-D-galactopyranoside
- Product code: SSC-067908
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
159922-67-5 / (3aS,4R,6S,7R,7aR)-4-(hydroxymethyl)-6-(4-methoxyphenoxy)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
Basic Information
CAS
159922-67-5
Multi CAS
No
Molecular Formula
C16H22O7
Molecular Weight
326.340000
Exact Mass
326.136553
SMILES
CC1(O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O1)O)OC3=CC=C(C=C3)OC)CO)C
InChI
InChI=1S/C16H22O7/c1-16(2)22-13-11(8-17)21-15(12(18)14(13)23-16)20-10-6-4-9(19-3)5-7-10/h4-7,11-15,17-18H,8H2,1-3H3/t11-,12-,13+,14-,15-/m1/s1
InChIKey
IFIVVNHQGPJZBP-UXXRCYHCSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
2
Molar refractivity
79.2
TPSA
86.61
LogP / Solubility
WLOGP
0.67
MLOGP
0.61
XLogP3
0.7
Consensus LogP
0.66
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5
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![CAS 369-07-3 2-Nitrophenyl β-D-Galactopyranoside [Substrate for β-D-Galactosidase] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/n0418-jpgcontextbwfzdgvyfhjvb3r8mzyzndh8aw1hz2uvanblz3xozjevadaxlzg5mze2odi0mtg3mtgvtja0mtguanbnfgy4ymnjndm4mdmzzdnkzduxodzkmdblngm3mdllowjhzjyzntk1otk1oda4ytg5ywjiytq2odczzjm3njiwmte.jpeg)
