CL 118523
TL;DR: CL 118523 (CAS 112079-66-0) is a chemical compound with molecular formula C16H15N7O5S4 and molecular weight 513.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: CL 118523, 5-((7-((2-Amino-4-(thiazoyl)-2-(methoxy-imino))acetyl)amino-4-carboxyceph-3-em-3-yl)methyl)-1,2,3-thiadiazole, (6R)-7-[[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-5-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-3-(1,2,3-thiadiazol-5-ylmethyl)-, (6R-(6alpha,7beta(Z)))-
| Molecular Formula | C16H15N7O5S4 |
|---|---|
| Molecular Weight | 513.00 g/mol |
| LogP | 0.4582 |
| Topological Polar Surface Area | 172.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.0018 |
| Heavy Atoms | 32 |
| Complexity | 1115.9733 |
Chemical Identifiers
| CAS Number | 112079-66-0 |
|---|---|
| SMILES | CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2[C@@H]3N(C2=O)C(=C(CS3)CSC4=CN=NS4)C(=O)O |
Product Overview
CL 118523 (CAS 112079-66-0), with molecular formula C16H15N7O5S4 and molecular weight 513.00 g/mol. IUPAC: (6R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of CL 118523
Property Insights of CL 118523
The XLogP value of 0.4582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CL 118523. The TPSA of 172.99 Ų indicates high polarity, suggesting CL 118523 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CL 118523 has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CL 118523?
The CAS number of CL 118523 is 112079-66-0.
What is the molecular formula of CL 118523?
The molecular formula of CL 118523 is C16H15N7O5S4.
What is the molecular weight of CL 118523?
The molecular weight of CL 118523 is 513.00 g/mol.
Where can I buy CL 118523?
You can request a quote for CL 118523 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CL 118523?
Yes, KEHONG BIO provides custom synthesis services for CL 118523 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.