[email protected]
CAS 1309604-34-9 Marumoside A molecular structure lightbox
CAS RN: 1309604-34-9

Marumoside A

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250110 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1309604-34-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1309604-34-9 / 2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]acetamide

Standard CAS: 1309604-34-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1309604-34-9
Multi CAS
No
Molecular Formula
C14H19NO6
Molecular Weight
297.300000
Exact Mass
297.121237
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)CC(=O)N)O)O)O
InChI
InChI=1S/C14H19NO6/c1-7-11(17)12(18)13(19)14(20-7)21-9-4-2-8(3-5-9)6-10(15)16/h2-5,7,11-14,17-19H,6H2,1H3,(H2,15,16)/t7-,11-,12+,13+,14-/m0/s1
InChIKey
FBANEUHXMFEIRO-WBFOWJMUSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
72.32
TPSA
122.24

LogP / Solubility

WLOGP
-1.08
MLOGP
-0.94
XLogP3
-0.6
Consensus LogP
-0.87
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.18
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-5.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us