YM 16457
TL;DR: YM 16457 (CAS 105980-35-6) is a chemical compound with molecular formula C16H17N5O5S4 and molecular weight 487.01126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(1,3-dithiolan-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: YM 16457, (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-(1,3-dithiolan-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(1,3-dithiolan-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7beta-[[(Z)-(2-Aminothiazol-4-yl)(methoxyimino)acetyl]amino]-3-(1,3-dithiolan-2-yl)cepham-3-ene-4-carboxylic acid, T35257
Technical Specifications
| Molecular Formula | C16H17N5O5S4 |
| Molecular Weight | 487.01126 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 251.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.01126 Da |
| Heavy Atoms | 30 |
| Complexity | 818.0 |
| SMILES | CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C4SCCS4)C(=O)O |
| InChIKey | UDPJEIZHHUILLO-DQBBSJBJSA-N |
Chemical Property Profile of YM 16457
Property Insights of YM 16457
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for YM 16457. The TPSA of 251.0 Ų indicates high polarity, suggesting YM 16457 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, YM 16457 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of YM 16457?
The CAS number of YM 16457 is 105980-35-6.
What is the molecular formula of YM 16457?
The molecular formula of YM 16457 is C16H17N5O5S4.
What is the molecular weight of YM 16457?
The molecular weight of YM 16457 is 487.01126 g/mol.
Where can I buy YM 16457?
You can request a quote for YM 16457 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for YM 16457?
Yes, CoreyChem provides custom synthesis services for YM 16457 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.