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CAS 1820580-75-3 4-Methoxyphenyl 3,4-O-Isopropylidene-6-O-(4-methylbenzoyl)-β-D-galactopyranoside molecular structure lightbox
CAS RN: 1820580-75-3

4-Methoxyphenyl 3,4-O-Isopropylidene-6-O-(4-methylbenzoyl)-β-D-galactopyranoside

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250310 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-082812
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1820580-75-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1820580-75-3 / [(3aS,4R,6S,7R,7aR)-7-hydroxy-6-(4-methoxyphenoxy)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl 4-methylbenzoate

Standard CAS: 1820580-75-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1820580-75-3
Multi CAS
No
Molecular Formula
C24H28O8
Molecular Weight
444.500000
Exact Mass
444.178418
SMILES
CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]3[C@@H]([C@H]([C@@H](O2)OC4=CC=C(C=C4)OC)O)OC(O3)(C)C
InChI
InChI=1S/C24H28O8/c1-14-5-7-15(8-6-14)22(26)28-13-18-20-21(32-24(2,3)31-20)19(25)23(30-18)29-17-11-9-16(27-4)10-12-17/h5-12,18-21,23,25H,13H2,1-4H3/t18-,19-,20+,21-,23-/m1/s1
InChIKey
WHYAFYRMODYSLP-ZFVIQDPVSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
1
Molar refractivity
113.58
TPSA
92.68

LogP / Solubility

WLOGP
2.85
MLOGP
2.53
XLogP3
3.3
Consensus LogP
2.89
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
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
Yes
Log Kp (skin permeation)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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