YM 13115
TL;DR: YM 13115 (CAS 92071-93-7) is a chemical compound with molecular formula C21H20N6NaO10S4+ and molecular weight 667.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 7-[[(2Z)-2-(2-amino-1,3-thiazol-5-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[(4-carboxy-3-oxo-1,2-thiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: YM 13115, 5-Thia-1-azabicylo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)((1-carboxy-1-methylethoxy)imino)acetyl)amino)-3-(((4-carboxy-2,3-dihydro-3-oxo-5-isothiazolyl)thio)methyl)-8-oxo-, trisodium salt, (6R-(6alpha,7beta(Z)))-, sodium;7-[[(2Z)-2-(2-amino-1,3-thiazol-5-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[(4-carboxy-3-oxo-1,2-thiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C21H20N6NaO10S4+ |
|---|---|
| Molecular Weight | 667.00 g/mol |
| LogP | -2.7079 |
| Topological Polar Surface Area | 254.67 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 667.00214 |
| Heavy Atoms | 42 |
| Complexity | 1580.5709 |
Chemical Identifiers
| CAS Number | 92071-93-7 |
|---|---|
| SMILES | CC(C)(C(=O)O)O/N=C(\C1=CN=C(S1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=C(C(=O)NS4)C(=O)O)C(=O)O.[Na+] |
Product Overview
YM 13115 (CAS 92071-93-7), with molecular formula C21H20N6NaO10S4+ and molecular weight 667.00 g/mol. IUPAC: sodium 7-[[(2Z)-2-(2-amino-1,3-thiazol-5-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[(4-carboxy-3-oxo-1,2-thiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of YM 13115
Property Insights of YM 13115
The XLogP value of -2.7079 indicates that YM 13115 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 254.67 Ų indicates high polarity, suggesting YM 13115 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, YM 13115 has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of YM 13115?
The CAS number of YM 13115 is 92071-93-7.
What is the molecular formula of YM 13115?
The molecular formula of YM 13115 is C21H20N6NaO10S4+.
What is the molecular weight of YM 13115?
The molecular weight of YM 13115 is 667.00 g/mol.
Where can I buy YM 13115?
You can request a quote for YM 13115 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for YM 13115?
Yes, KEHONG BIO provides custom synthesis services for YM 13115 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.