(5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-D-arabinitol
TL;DR: (5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-D-arabinitol (CAS 18969-82-9) is a chemical compound with molecular formula C17H22N2O7 and molecular weight 366.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1S,2R,3S,4R)-1,2,3,4,5-pentahydroxypentyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: Tetrahydropentoxyline, KST-1A2331, (5s)-5-c-(3-carboxy-2,3,4,9-tetrahydro-1h-, A-carbolin-1-yl)-d-arabinitol, 1-(1',2',3',4',5'-Pentahydroxypentyl)-1,2,3,-tetrahydro-2-carboline-3-carboxylic acid
| Molecular Formula | C17H22N2O7 |
|---|---|
| Molecular Weight | 366.14 g/mol |
| LogP | -4.3 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.1427 |
| Heavy Atoms | 26 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 18969-82-9 |
|---|---|
| SMILES | C1C(NC(C2=C1C3=CC=CC=C3N2)[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O)C(=O)O |
| InChIKey | LCHFAYIGHOVWSA-LEDUIRAGSA-N |
Product Overview
(5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-D-arabinitol (CAS 18969-82-9), with molecular formula C17H22N2O7 and molecular weight 366.14 g/mol. IUPAC: 1-[(1S,2R,3S,4R)-1,2,3,4,5-pentahydroxypentyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid.
Chemical Property Profile of (5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-D-arabinitol
Property Insights of (5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-D-arabinitol
The XLogP value of -4.3 indicates that (5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-D-arabinitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting (5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-D-arabinitol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-D-arabinitol has 8 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-D-arabinitol?
The CAS number of (5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-D-arabinitol is 18969-82-9.
What is the molecular formula of (5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-D-arabinitol?
The molecular formula of (5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-D-arabinitol is C17H22N2O7.
What is the molecular weight of (5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-D-arabinitol?
The molecular weight of (5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-D-arabinitol is 366.14 g/mol.
Where can I buy (5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-D-arabinitol?
You can request a quote for (5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-D-arabinitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-D-arabinitol?
Yes, KEHONG BIO provides custom synthesis services for (5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-D-arabinitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.