Saframycin A
TL;DR: Saframycin A (CAS 66082-27-7) is a chemical compound with molecular formula C29H30N4O8 and molecular weight 562.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[(1R,2S,10R,12R,13S)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]-2-oxopropanamide
Also Known As: Saframycin A, (-)-saframycin A, 21-cyanosaframycin B, 21-Cyanosaframycin-B, N-[[(1R,2S,10R,12R,13S)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]-2-oxopropanamide
| Molecular Formula | C29H30N4O8 |
|---|---|
| Molecular Weight | 562.21 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 562.20636 |
| Heavy Atoms | 41 |
| Complexity | 1540.0 |
Chemical Identifiers
| CAS Number | 66082-27-7 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)C[C@H]3[C@H]4C5=C(C[C@H](N4C)[C@@H](N3[C@H]2CNC(=O)C(=O)C)C#N)C(=O)C(=C(C5=O)OC)C)OC |
| InChIKey | JNEGMBHBUAJRSX-SHUHUVMISA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Saframycin A (CAS 66082-27-7), with molecular formula C29H30N4O8 and molecular weight 562.21 g/mol. IUPAC: N-[[(1R,2S,10R,12R,13S)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]-2-oxopropanamide.
Chemical Property Profile of Saframycin A
Property Insights of Saframycin A
The XLogP value of -0.3 indicates that Saframycin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting Saframycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Saframycin A has 1 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 Saframycin A?
The CAS number of Saframycin A is 66082-27-7.
What is the molecular formula of Saframycin A?
The molecular formula of Saframycin A is C29H30N4O8.
What is the molecular weight of Saframycin A?
The molecular weight of Saframycin A is 562.21 g/mol.
Where can I buy Saframycin A?
You can request a quote for Saframycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Saframycin A?
Yes, KEHONG BIO provides custom synthesis services for Saframycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.