S-Adenosylmethionine-2',3'-dialdehyde
TL;DR: S-Adenosylmethionine-2',3'-dialdehyde (CAS 796-55-4) is a chemical compound with molecular formula C15H21N6O5S+ and molecular weight 397.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-amino-3-carboxypropyl)-[2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl]-methylsulfanium
Also Known As: S-Adenosylmethionine-2',3'-dialdehyde, KST-1A8280, (3-amino-3-carboxypropyl){2-[1-(6-amino-9h-purin-9-yl)-2-oxoethoxy]-3-oxopropyl}methylsulfonium, Sulfonium, (3-amino-3-carboxypropyl)(2-(1-(6-amino-9H-purin-9-yl)-2-oxoethoxy)-3-oxopropyl)methyl-, stereoisomer, (3-amino-3-carboxypropyl)-[2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl]-methylsulfanium
| Molecular Formula | C15H21N6O5S+ |
|---|---|
| Molecular Weight | 397.13 g/mol |
| LogP | -3.7 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 397.12943 |
| Heavy Atoms | 27 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 796-55-4 |
|---|---|
| SMILES | C[S+](CCC(C(=O)O)N)CC(C=O)OC(C=O)N1C=NC2=C(N=CN=C21)N |
| InChIKey | XQCQSVQZQVSOQM-UHFFFAOYSA-O |
Product Overview
S-Adenosylmethionine-2',3'-dialdehyde (CAS 796-55-4), with molecular formula C15H21N6O5S+ and molecular weight 397.13 g/mol. IUPAC: (3-amino-3-carboxypropyl)-[2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl]-methylsulfanium.
Chemical Property Profile of S-Adenosylmethionine-2',3'-dialdehyde
Property Insights of S-Adenosylmethionine-2',3'-dialdehyde
The XLogP value of -3.7 indicates that S-Adenosylmethionine-2',3'-dialdehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 177.0 Ų indicates high polarity, suggesting S-Adenosylmethionine-2',3'-dialdehyde may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-Adenosylmethionine-2',3'-dialdehyde has 3 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-Adenosylmethionine-2',3'-dialdehyde?
The CAS number of S-Adenosylmethionine-2',3'-dialdehyde is 796-55-4.
What is the molecular formula of S-Adenosylmethionine-2',3'-dialdehyde?
The molecular formula of S-Adenosylmethionine-2',3'-dialdehyde is C15H21N6O5S+.
What is the molecular weight of S-Adenosylmethionine-2',3'-dialdehyde?
The molecular weight of S-Adenosylmethionine-2',3'-dialdehyde is 397.13 g/mol.
Where can I buy S-Adenosylmethionine-2',3'-dialdehyde?
You can request a quote for S-Adenosylmethionine-2',3'-dialdehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Adenosylmethionine-2',3'-dialdehyde?
Yes, KEHONG BIO provides custom synthesis services for S-Adenosylmethionine-2',3'-dialdehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.