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CAS 34371-47-6 5-Carboxystrictosidine molecular structure lightbox
CAS RN: 34371-47-6

5-Carboxystrictosidine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260418 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS34371-47-6
  • Purity/Analytical Methods: >99.0%
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34371-47-6 / (1S,3S)-1-[[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

Standard CAS: 34371-47-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34371-47-6
Multi CAS
Yes
Molecular Formula
C28H34N2O11
Molecular Weight
574.600000
Exact Mass
574.216260
InChI
InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)/t12-,14+,18+,19+,20-,22-,23+,24-,27+,28+/m1/s1
InChIKey
LHKZIVMTXZLOTP-RMKGEEGASA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
11
H-bond donors
7
Molar refractivity
140.92
TPSA
200.03

LogP / Solubility

WLOGP
-0.15
MLOGP
-0.09
XLogP3
-2.1
Consensus LogP
-0.78
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly 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)
-6.33

Drug-likeness / Medicinal Chemistry

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

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