[email protected]
CAS 382148-47-2 BACOPASIDE I(SH) molecular structure lightbox
CAS RN: 382148-47-2

BACOPASIDE I(SH)

Product Availability

Choose a grade to view its available package options.

5 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250930 10mg In stock Shanghai Inquiry
Batchno.20251228 25mg In stock Shanghai Inquiry
Batchno.20260415 50mg Out of stock Inquiry
Batchno.20250123 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251218 5mg / 20mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS382148-47-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

382148-47-2 / [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,17R,20R)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate

Standard CAS: 382148-47-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
382148-47-2
Multi CAS
Yes
Molecular Formula
C46H74O20S
Molecular Weight
979.100000
Exact Mass
978.449416
InChI
InChI=1S/C46H74O20S/c1-21(2)14-22-16-59-46-19-45(20-60-46)23(37(46)44(22,7)54)8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,45)6)64-40-36(66-38-33(52)30(49)25(15-47)62-38)35(24(48)17-58-40)65-39-34(53)32(51)31(50)26(63-39)18-61-67(55,56)57/h14,22-40,47-54H,8-13,15-20H2,1-7H3,(H,55,56,57)/t22-,23-,24+,25+,26-,27+,28-,29+,30+,31-,32+,33-,34-,35+,36-,37+,38+,39+,40+,42+,43-,44+,45+,46-/m1/s1
InChIKey
SKFWOYHZBNAJGA-YAOMZRCFSA-N

Computed Properties

Structural Parameters

Heavy atom count
67
Fraction Csp3
0.96
Rotatable bonds
11
H-bond acceptors
19
H-bond donors
9
Molar refractivity
229.19
TPSA
299.28

LogP / Solubility

WLOGP
0.29
MLOGP
0.35
XLogP3
1.1
Consensus LogP
0.58
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.59
Class (SILICOS-IT)
Insoluble

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)
-8.49

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us