Stevastelin A
TL;DR: Stevastelin A (CAS 147334-91-6) is a chemical compound with molecular formula C34H61N3O12S and molecular weight 735.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S)-3-amino-4-[[(2S)-2-[[(E,2R,3R,4R,5R)-3,5-dihydroxy-2,4-dimethyloctadec-12-enoyl]amino]-3-methylbutanoyl]-[(2S)-1-oxo-3-sulfooxypropan-2-yl]amino]-4-oxobutan-2-yl] acetate
Also Known As: Stevastelin A, NK 374186A, [(2R,3S)-3-amino-4-[[(2S)-2-[[(E,2R,3R,4R,5R)-3,5-dihydroxy-2,4-dimethyloctadec-12-enoyl]amino]-3-methylbutanoyl]-[(2S)-1-oxo-3-sulfooxypropan-2-yl]amino]-4-oxobutan-2-yl] acetate
| Molecular Formula | C34H61N3O12S |
|---|---|
| Molecular Weight | 735.40 g/mol |
| LogP | 2.6193 |
| Topological Polar Surface Area | 239.93 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 26 |
| Exact Mass | 735.3976 |
| Heavy Atoms | 50 |
| Complexity | 1195.8633 |
Chemical Identifiers
| CAS Number | 147334-91-6 |
|---|---|
| SMILES | CCCCC/C=C/CCCCCC[C@H]([C@@H](C)[C@H]([C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N([C@@H](COS(=O)(=O)O)C=O)C(=O)[C@H]([C@@H](C)OC(=O)C)N)O)O |
Product Overview
Stevastelin A (CAS 147334-91-6), with molecular formula C34H61N3O12S and molecular weight 735.40 g/mol. IUPAC: [(2R,3S)-3-amino-4-[[(2S)-2-[[(E,2R,3R,4R,5R)-3,5-dihydroxy-2,4-dimethyloctadec-12-enoyl]amino]-3-methylbutanoyl]-[(2S)-1-oxo-3-sulfooxypropan-2-yl]amino]-4-oxobutan-2-yl] acetate.
Chemical Property Profile of Stevastelin A
Property Insights of Stevastelin A
The XLogP value of 2.6193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Stevastelin A. The TPSA of 239.93 Ų indicates high polarity, suggesting Stevastelin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Stevastelin A has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Stevastelin A?
The CAS number of Stevastelin A is 147334-91-6.
What is the molecular formula of Stevastelin A?
The molecular formula of Stevastelin A is C34H61N3O12S.
What is the molecular weight of Stevastelin A?
The molecular weight of Stevastelin A is 735.40 g/mol.
Where can I buy Stevastelin A?
You can request a quote for Stevastelin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stevastelin A?
Yes, KEHONG BIO provides custom synthesis services for Stevastelin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.