Raphanatin
TL;DR: Raphanatin (CAS 4695-37-8) is a chemical compound with molecular formula C30H39N9O8S and molecular weight 685.26 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-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid;3-(benzylamino)benzenesulfonic acid
Also Known As: Raphanatin, Blasticidin S, (benzylamino)benzenesulfonate, Benzenesulfonic acid, (benzylamino)-, compd with blasticidin S (1:1), 3-(benzylamino)benzenesulfonic acid- 4-amino-1-(4-{[(3s)-3-amino-5-(n-methylcarbamimidamido)pentanoyl]amino}-2,3,4-trideoxy-, A-d-erythro-hex-2-enopyranuronosyl)pyrimidin-2(1h)-one(1:1)
| Molecular Formula | C30H39N9O8S |
|---|---|
| Molecular Weight | 685.26 g/mol |
| LogP | 0.32667 |
| Topological Polar Surface Area | 288.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 685.2642 |
| Heavy Atoms | 48 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 4695-37-8 |
|---|---|
| SMILES | CN(CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)N)C(=N)N.C1=CC=C(C=C1)CNC2=CC(=CC=C2)S(=O)(=O)O |
| InChIKey | GJIFYFLPKNBKJE-NMQKUDMSSA-N |
Product Overview
Raphanatin (CAS 4695-37-8), with molecular formula C30H39N9O8S and molecular weight 685.26 g/mol. IUPAC: (2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid;3-(benzylamino)benzenesulfonic acid.
Chemical Property Profile of Raphanatin
Property Insights of Raphanatin
The XLogP value of 0.32667 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Raphanatin. The TPSA of 288.0 Ų indicates high polarity, suggesting Raphanatin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Raphanatin has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Raphanatin?
The CAS number of Raphanatin is 4695-37-8.
What is the molecular formula of Raphanatin?
The molecular formula of Raphanatin is C30H39N9O8S.
What is the molecular weight of Raphanatin?
The molecular weight of Raphanatin is 685.26 g/mol.
Where can I buy Raphanatin?
You can request a quote for Raphanatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Raphanatin?
Yes, KEHONG BIO provides custom synthesis services for Raphanatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.