头孢菌素C
TL;DR: 头孢菌素C (CAS 11111-12-9) is a chemical compound with molecular formula C16H21N3O8S and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢菌素C
3-(acetyloxymethyl)-7-[(5-amino-5-carboxypentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Cephalosporine, cephalosporin C, Sid 841352, 3-(Acetyloxymethyl)-7-[(5-amino-5-carboxypentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(5-amino-5-carboxypentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C16H21N3O8S |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | -4.4 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 415.10495 |
| Heavy Atoms | 28 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 11111-12-9 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)N)SC1)C(=O)O |
| InChIKey | HOKIDJSKDBPKTQ-UHFFFAOYSA-N |
Product Overview
头孢菌素C (CAS 11111-12-9), with molecular formula C16H21N3O8S and molecular weight 415.10 g/mol. IUPAC: 3-(acetyloxymethyl)-7-[(5-amino-5-carboxypentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 头孢菌素C
Property Insights of 头孢菌素C
The XLogP value of -4.4 indicates that 头孢菌素C is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting 头孢菌素C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢菌素C has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 头孢菌素C?
The CAS number of 头孢菌素C is 11111-12-9.
What is the molecular formula of 头孢菌素C?
The molecular formula of 头孢菌素C is C16H21N3O8S.
What is the molecular weight of 头孢菌素C?
The molecular weight of 头孢菌素C is 415.10 g/mol.
Where can I buy 头孢菌素C?
You can request a quote for 头孢菌素C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢菌素C?
Yes, KEHONG BIO provides custom synthesis services for 头孢菌素C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.