Cephalosporate C-2
TL;DR: Cephalosporate C-2 (CAS 56136-29-9) is a chemical compound with molecular formula C14H19N3O8S and molecular weight 389.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(5-amino-5-carboxypentanoyl)amino]-carboxymethyl]-5-formyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Also Known As: Cephalosporate C-2, Cephalosporate C2, 5-Amino-5-carboxyvaleramido-(5-formyl-4-carboxy-2H,3H,6H-tetrahydro-1,3-thiazinyl)glycine, 2-[[(5-amino-5-carboxypentanoyl)amino]-carboxymethyl]-5-formyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, 2H-1,3-Thiazine-2-acetic acid, alpha-((5-amino-5-carboxy-1-oxopentyl)amino)-4-carboxy-5-formyl-3,6-dihydro-, stereoisomer
| Molecular Formula | C14H19N3O8S |
|---|---|
| Molecular Weight | 389.09 g/mol |
| LogP | -3.9 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 389.0893 |
| Heavy Atoms | 26 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 56136-29-9 |
|---|---|
| SMILES | C1C(=C(NC(S1)C(C(=O)O)NC(=O)CCCC(C(=O)O)N)C(=O)O)C=O |
| InChIKey | GURXGLANODQSQH-UHFFFAOYSA-N |
Product Overview
Cephalosporate C-2 (CAS 56136-29-9), with molecular formula C14H19N3O8S and molecular weight 389.09 g/mol. IUPAC: 2-[[(5-amino-5-carboxypentanoyl)amino]-carboxymethyl]-5-formyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid.
Chemical Property Profile of Cephalosporate C-2
Property Insights of Cephalosporate C-2
The XLogP value of -3.9 indicates that Cephalosporate C-2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 221.0 Ų indicates high polarity, suggesting Cephalosporate C-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cephalosporate C-2 has 6 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 Cephalosporate C-2?
The CAS number of Cephalosporate C-2 is 56136-29-9.
What is the molecular formula of Cephalosporate C-2?
The molecular formula of Cephalosporate C-2 is C14H19N3O8S.
What is the molecular weight of Cephalosporate C-2?
The molecular weight of Cephalosporate C-2 is 389.09 g/mol.
Where can I buy Cephalosporate C-2?
You can request a quote for Cephalosporate C-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cephalosporate C-2?
Yes, KEHONG BIO provides custom synthesis services for Cephalosporate C-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.