S-Tubercidinylhomocysteine
TL;DR: S-Tubercidinylhomocysteine (CAS 590-71-6) is a chemical compound with molecular formula C15H21N5O5S and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
Also Known As: S-tubercidinylhomocysteine, S-tubercidyl-L-homocysteine, S-7-Deazaadenosylhomocysteine, (2s)-2-amino-4-({[(2s,3s,4r,5r)-5-(4-amino-7h-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid(non-preferred name), (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
| Molecular Formula | C15H21N5O5S |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | -3.8 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.12634 |
| Heavy Atoms | 26 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 590-71-6 |
|---|---|
| SMILES | C1=CN(C2=NC=NC(=C21)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O |
| InChIKey | VIRPSVXGKGPXDV-NDXSAKOMSA-N |
Product Overview
S-Tubercidinylhomocysteine (CAS 590-71-6), with molecular formula C15H21N5O5S and molecular weight 383.13 g/mol. IUPAC: (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid.
Chemical Property Profile of S-Tubercidinylhomocysteine
Property Insights of S-Tubercidinylhomocysteine
The XLogP value of -3.8 indicates that S-Tubercidinylhomocysteine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 195.0 Ų indicates high polarity, suggesting S-Tubercidinylhomocysteine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-Tubercidinylhomocysteine has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-Tubercidinylhomocysteine?
The CAS number of S-Tubercidinylhomocysteine is 590-71-6.
What is the molecular formula of S-Tubercidinylhomocysteine?
The molecular formula of S-Tubercidinylhomocysteine is C15H21N5O5S.
What is the molecular weight of S-Tubercidinylhomocysteine?
The molecular weight of S-Tubercidinylhomocysteine is 383.13 g/mol.
Where can I buy S-Tubercidinylhomocysteine?
You can request a quote for S-Tubercidinylhomocysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Tubercidinylhomocysteine?
Yes, KEHONG BIO provides custom synthesis services for S-Tubercidinylhomocysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.