Demethylblasticidin S
TL;DR: Demethylblasticidin S (CAS 63257-29-4) is a chemical compound with molecular formula C16H24N8O5 and molecular weight 408.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,6R)-3-[[(3S)-3-amino-5-(diaminomethylideneamino)pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
Also Known As: Demethylblasticidin S, DemethylblasticidinS, (2S,3S,6R)-3-[[(3S)-3-amino-5-(diaminomethylideneamino)pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid, 5-25-14-00412 (Beilstein Handbook Reference), beta-D-erythro-Hex-2-enopyranuronic acid, 4-((3-amino-5-((aminoiminomethyl)amino)-1-oxopentyl)amino)-1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,2,3,4-tetradeoxy-, (S)-
| Molecular Formula | C16H24N8O5 |
|---|---|
| Molecular Weight | 408.19 g/mol |
| LogP | -5.8 |
| Topological Polar Surface Area | 225.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 408.18695 |
| Heavy Atoms | 29 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 63257-29-4 |
|---|---|
| SMILES | C1=C[C@@H](O[C@@H]([C@H]1NC(=O)C[C@H](CCN=C(N)N)N)C(=O)O)N2C=CC(=NC2=O)N |
| InChIKey | OJVBAQZCFZMOBW-NGERZBJRSA-N |
Product Overview
Demethylblasticidin S (CAS 63257-29-4), with molecular formula C16H24N8O5 and molecular weight 408.19 g/mol. IUPAC: (2S,3S,6R)-3-[[(3S)-3-amino-5-(diaminomethylideneamino)pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid.
Chemical Property Profile of Demethylblasticidin S
Property Insights of Demethylblasticidin S
The XLogP value of -5.8 indicates that Demethylblasticidin S is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 225.0 Ų indicates high polarity, suggesting Demethylblasticidin S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Demethylblasticidin S has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Demethylblasticidin S?
The CAS number of Demethylblasticidin S is 63257-29-4.
What is the molecular formula of Demethylblasticidin S?
The molecular formula of Demethylblasticidin S is C16H24N8O5.
What is the molecular weight of Demethylblasticidin S?
The molecular weight of Demethylblasticidin S is 408.19 g/mol.
Where can I buy Demethylblasticidin S?
You can request a quote for Demethylblasticidin S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethylblasticidin S?
Yes, KEHONG BIO provides custom synthesis services for Demethylblasticidin S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.