Saframycin Y3
TL;DR: Saframycin Y3 (CAS 24749-06-2) is a chemical compound with molecular formula C29H33N5O7 and molecular weight 563.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-N-[[(1S,2S,10R,13R)-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]propanamide
Also Known As: Saframycin Y3, Saframycin-Y3, (2S)-2-amino-N-[[(1S,2S,10R,13R)-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]propanamide, n-{[(6r,9r,14as,15s)-7-cyano-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-1,5,6,7,9,10,13,14,14a,15-decahydro-4h-6,15-epiminoisoquino[3,2-b][3]benzazocin-9-yl]methyl}-l-alaninamide, Propanamide, 2-amino-N-((7-cyano-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)-, (6R-(6alpha,7beta,9alpha(S*),14abeta,15alpha))-
| Molecular Formula | C29H33N5O7 |
|---|---|
| Molecular Weight | 563.24 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 563.238 |
| Heavy Atoms | 41 |
| Complexity | 1490.0 |
Chemical Identifiers
| CAS Number | 24749-06-2 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)C[C@H]3[C@@H]4C5=C(C[C@@H](N4C)C(N3[C@H]2CNC(=O)[C@H](C)N)C#N)C(=O)C(=C(C5=O)OC)C)OC |
| InChIKey | KLKJKXQSKPPFSJ-XFPFBUNZSA-N |
Product Overview
Saframycin Y3 (CAS 24749-06-2), with molecular formula C29H33N5O7 and molecular weight 563.24 g/mol. IUPAC: (2S)-2-amino-N-[[(1S,2S,10R,13R)-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]propanamide.
Chemical Property Profile of Saframycin Y3
Property Insights of Saframycin Y3
The XLogP value of -0.7 indicates that Saframycin Y3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.0 Ų indicates high polarity, suggesting Saframycin Y3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Saframycin Y3 has 2 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 Y3?
The CAS number of Saframycin Y3 is 24749-06-2.
What is the molecular formula of Saframycin Y3?
The molecular formula of Saframycin Y3 is C29H33N5O7.
What is the molecular weight of Saframycin Y3?
The molecular weight of Saframycin Y3 is 563.24 g/mol.
Where can I buy Saframycin Y3?
You can request a quote for Saframycin Y3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Saframycin Y3?
Yes, KEHONG BIO provides custom synthesis services for Saframycin Y3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.