[email protected]
CAS 1408311-12-5 1-Hydroxymethyl-beta-carboline glucoside molecular structure lightbox
CAS RN: 1408311-12-5

1-Hydroxymethyl-beta-carboline glucoside

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251026 5mg Out of stock 30 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250420 5mg Out of stock Inquiry
  • Product code: starshine_CAS1408311-12-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1408311-12-5 / (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(9H-pyrido[3,4-b]indol-1-ylmethoxy)oxane-3,4,5-triol

Standard CAS: 1408311-12-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1408311-12-5
Multi CAS
No
Molecular Formula
C18H20N2O6
Molecular Weight
360.400000
Exact Mass
360.132136
SMILES
C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C18H20N2O6/c21-7-13-15(22)16(23)17(24)18(26-13)25-8-12-14-10(5-6-19-12)9-3-1-2-4-11(9)20-14/h1-6,13,15-18,20-24H,7-8H2/t13-,15-,16+,17-,18-/m1/s1
InChIKey
UBEWCGDGCYXTEA-SOVHRIKKSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
13
Fraction Csp3
0.39
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
5
Molar refractivity
92.16
TPSA
128.06

LogP / Solubility

WLOGP
0.03
MLOGP
0.05
XLogP3
-0.1
Consensus LogP
-0.01
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-4.9

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us