Saframycin Y2b
TL;DR: Saframycin Y2b (CAS 107140-34-1) is a chemical compound with molecular formula C58H64N10O14 and molecular weight 1124.46 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,12R,13R,14S)-12-cyano-14-[[(2S)-1-[[(1S,2S,10R,12R,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]methylamino]-1-oxopropan-2-yl]amino]-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 Y2b, Saframycin Y2-b, (2S)-2-amino-N-[[(1S,2S,10R,12R,13R,14S)-12-cyano-14-[[(2S)-1-[[(1S,2S,10R,12R,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]methylamino]-1-oxopropan-2-yl]amino]-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, Propanamide, 2-amino-N-((7-cyano-5-((2-(((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)amino)-1-methyl-2-oxoethyl)amino)-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)-, (5S-(5alpha(R*(6R*,7S*,9S*,14aR*,15S*),6alpha,7alpha,9beta(R*),14aalpha,15alpha)))-
| Molecular Formula | C58H64N10O14 |
|---|---|
| Molecular Weight | 1124.46 g/mol |
| LogP | -1.15944 |
| Topological Polar Surface Area | 330.27 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 12 |
| Exact Mass | 1124.4603 |
| Heavy Atoms | 82 |
| Complexity | 3449.2158 |
Chemical Identifiers
| CAS Number | 107140-34-1 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)C[C@H]3[C@@H]4C5=C([C@@H]([C@@H](N4C)[C@@H](N3[C@H]2CNC(=O)[C@H](C)N)C#N)N[C@@H](C)C(=O)NC[C@H]6C7=C(C[C@@H]8N6[C@H]([C@H]9CC1=C([C@@H]8N9C)C(=O)C(=C(C1=O)C)OC)C#N)C(=O)C(=C(C7=O)OC)C)C(=O)C(=C(C5=O)OC)C)OC |
Product Overview
Saframycin Y2b (CAS 107140-34-1), with molecular formula C58H64N10O14 and molecular weight 1124.46 g/mol. IUPAC: (2S)-2-amino-N-[[(1S,2S,10R,12R,13R,14S)-12-cyano-14-[[(2S)-1-[[(1S,2S,10R,12R,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]methylamino]-1-oxopropan-2-yl]amino]-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 Y2b
Property Insights of Saframycin Y2b
The XLogP value of -1.15944 indicates that Saframycin Y2b is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 330.27 Ų indicates high polarity, suggesting Saframycin Y2b may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Saframycin Y2b has 4 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Saframycin Y2b?
The CAS number of Saframycin Y2b is 107140-34-1.
What is the molecular formula of Saframycin Y2b?
The molecular formula of Saframycin Y2b is C58H64N10O14.
What is the molecular weight of Saframycin Y2b?
The molecular weight of Saframycin Y2b is 1124.46 g/mol.
Where can I buy Saframycin Y2b?
You can request a quote for Saframycin Y2b directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Saframycin Y2b?
Yes, KEHONG BIO provides custom synthesis services for Saframycin Y2b and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.