YM 16457
TL;DR: YM 16457 (CAS 105980-35-6) is a chemical compound with molecular formula C16H17N5O5S4 and molecular weight 487.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C16H17N5O5S4 |
|---|---|
| Molecular Weight | 487.01 g/mol |
| LogP | 0.6205 |
| Topological Polar Surface Area | 147.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.01126 |
| Heavy Atoms | 30 |
| Complexity | 957.57715 |
Chemical Identifiers
| CAS Number | 105980-35-6 |
|---|---|
| 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 |
Product Overview
YM 16457 (CAS 105980-35-6), with molecular formula C16H17N5O5S4 and molecular weight 487.01 g/mol. IUPAC: (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.
Chemical Property Profile of YM 16457
Property Insights of YM 16457
The XLogP value of 0.6205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for YM 16457. The TPSA of 147.21 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 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 487.01 g/mol.
Where can I buy YM 16457?
You can request a quote for YM 16457 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for YM 16457?
Yes, KEHONG BIO provides custom synthesis services for YM 16457 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.