[email protected]
CAS 139446-82-5 5-O-Methylvisammioside, 6”-O-apiosyl- molecular structure lightbox
CAS RN: 139446-82-5

5-O-Methylvisammioside, 6”-O-apiosyl-

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250322 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250419 10mg Out of stock Inquiry
  • Product code: starshine_CAS139446-82-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

139446-82-5 / (2S)-2-[2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yl]-4-methoxy-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one

Standard CAS: 139446-82-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
139446-82-5
Multi CAS
No
Molecular Formula
C27H36O14
Molecular Weight
584.600000
Exact Mass
584.210506
SMILES
CC1=CC(=O)C2=C(C3=C(C=C2O1)O[C@@H](C3)C(C)(C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@](CO5)(CO)O)O)O)O)O)OC
InChI
InChI=1S/C27H36O14/c1-11-5-13(29)18-15(38-11)7-14-12(22(18)35-4)6-17(39-14)26(2,3)41-24-21(32)20(31)19(30)16(40-24)8-36-25-23(33)27(34,9-28)10-37-25/h5,7,16-17,19-21,23-25,28,30-34H,6,8-10H2,1-4H3/t16-,17+,19-,20+,21-,23+,24+,25-,27-/m1/s1
InChIKey
SJVSLVBGYDDGSZ-OPKDPXHTSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
8
H-bond acceptors
14
H-bond donors
6
Molar refractivity
137.47
TPSA
206.97

LogP / Solubility

WLOGP
-1.53
MLOGP
-1.3
XLogP3
-1.5
Consensus LogP
-1.44
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
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)
-7.37

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9.5

Customers Also Viewed

Get In Touch

Contact Us