S-Neplanocylmethionine
TL;DR: S-Neplanocylmethionine (CAS 90700-92-8) is a chemical compound with molecular formula C16H22N6O4S and molecular weight 394.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-[[3-(6-aminopurin-9-yl)-4,5-dihydroxycyclopenten-1-yl]methylsulfonio]pentanoate
Also Known As: S-Neplanocylmethionine, S-Neplanocyl-L-methionine, 2-amino-5-[[3-(6-aminopurin-9-yl)-4,5-dihydroxycyclopenten-1-yl]methylsulfonio]pentanoate, Sulfonium, (3-amino-3-carboxypropyl)((3-(6-amino-9H-purin-9-yl)-4,5-dihydroxy-1-cyclopenten-1-yl)methyl)methyl-, hydroxide, inner salt, (3R-(1(S*),3alpha,4beta,5beta))-, Sulfonium,(3-amino-3-carboxypropyl)((3-(6-amino-9H-purin-9-yl)-4,5-dihydroxy-1-cyclopenten-1-yl)methyl)methyl-,hydroxide,inner salt,(3R-(1(S*),3alpha,4beta,5beta))
| Molecular Formula | C16H22N6O4S |
|---|---|
| Molecular Weight | 394.14 g/mol |
| LogP | -3.4 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.14233 |
| Heavy Atoms | 27 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 90700-92-8 |
|---|---|
| SMILES | C1=C(C(C(C1N2C=NC3=C(N=CN=C32)N)O)O)C[SH+]CCCC(C(=O)[O-])N |
| InChIKey | HZQGNPXDXPJJIS-UHFFFAOYSA-N |
Product Overview
S-Neplanocylmethionine (CAS 90700-92-8), with molecular formula C16H22N6O4S and molecular weight 394.14 g/mol. IUPAC: 2-amino-5-[[3-(6-aminopurin-9-yl)-4,5-dihydroxycyclopenten-1-yl]methylsulfonio]pentanoate.
Chemical Property Profile of S-Neplanocylmethionine
Property Insights of S-Neplanocylmethionine
The XLogP value of -3.4 indicates that S-Neplanocylmethionine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 215.0 Ų indicates high polarity, suggesting S-Neplanocylmethionine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-Neplanocylmethionine has 5 hydrogen bond donor(s) and 9 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-Neplanocylmethionine?
The CAS number of S-Neplanocylmethionine is 90700-92-8.
What is the molecular formula of S-Neplanocylmethionine?
The molecular formula of S-Neplanocylmethionine is C16H22N6O4S.
What is the molecular weight of S-Neplanocylmethionine?
The molecular weight of S-Neplanocylmethionine is 394.14 g/mol.
Where can I buy S-Neplanocylmethionine?
You can request a quote for S-Neplanocylmethionine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Neplanocylmethionine?
Yes, KEHONG BIO provides custom synthesis services for S-Neplanocylmethionine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.