21-Decyano-25-dihydrosaframycin A
TL;DR: 21-Decyano-25-dihydrosaframycin A (CAS 81853-83-0) is a chemical compound with molecular formula C28H33N3O8 and molecular weight 539.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(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-hydroxypropanamide
Also Known As: Saframycin AR3, 21-Decyano-25-dihydrosaframycin A, N-[(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-hydroxypropanamide, Propanamide, N-((1,5,6,7,9,10,13,14,14a,15-decahydro-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-6,15-imino-4H-isoquino(3,2-b)(3)benzazocin-9-yl)methyl)-2-hydroxy-, N-({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-hydroxypropanamide
| Molecular Formula | C28H33N3O8 |
|---|---|
| Molecular Weight | 539.23 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 539.22675 |
| Heavy Atoms | 39 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 81853-83-0 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)CC3CN4C(C2N3C)CC5=C(C4CNC(=O)C(C)O)C(=O)C(=C(C5=O)C)OC)OC |
| InChIKey | ZGVLLWBYFNMAOM-UHFFFAOYSA-N |
Product Overview
21-Decyano-25-dihydrosaframycin A (CAS 81853-83-0), with molecular formula C28H33N3O8 and molecular weight 539.23 g/mol. IUPAC: N-[(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-hydroxypropanamide.
Chemical Property Profile of 21-Decyano-25-dihydrosaframycin A
Property Insights of 21-Decyano-25-dihydrosaframycin A
The XLogP value of -0.2 indicates that 21-Decyano-25-dihydrosaframycin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting 21-Decyano-25-dihydrosaframycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 21-Decyano-25-dihydrosaframycin A has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 21-Decyano-25-dihydrosaframycin A?
The CAS number of 21-Decyano-25-dihydrosaframycin A is 81853-83-0.
What is the molecular formula of 21-Decyano-25-dihydrosaframycin A?
The molecular formula of 21-Decyano-25-dihydrosaframycin A is C28H33N3O8.
What is the molecular weight of 21-Decyano-25-dihydrosaframycin A?
The molecular weight of 21-Decyano-25-dihydrosaframycin A is 539.23 g/mol.
Where can I buy 21-Decyano-25-dihydrosaframycin A?
You can request a quote for 21-Decyano-25-dihydrosaframycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-Decyano-25-dihydrosaframycin A?
Yes, KEHONG BIO provides custom synthesis services for 21-Decyano-25-dihydrosaframycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.