Cefazolin delta-3-methyl ester
TL;DR: Cefazolin delta-3-methyl ester (CAS 117929-10-9) is a chemical compound with molecular formula C15H16N8O4S3 and molecular weight 468.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate
Also Known As: Cefazolin delta-3-methyl ester, Ro 19-5248, Ro-19-5248, Cefazolin big up tri, open3-Methyl Ester, methyl (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate
| Molecular Formula | C15H16N8O4S3 |
|---|---|
| Molecular Weight | 468.05 g/mol |
| LogP | -0.54928 |
| Topological Polar Surface Area | 145.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.04565 |
| Heavy Atoms | 30 |
| Complexity | 993.9386 |
Chemical Identifiers
| CAS Number | 117929-10-9 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC2=CS[C@@H]3[C@@H](C(=O)N3C2C(=O)OC)NC(=O)CN4C=NN=N4 |
Product Overview
Cefazolin delta-3-methyl ester (CAS 117929-10-9), with molecular formula C15H16N8O4S3 and molecular weight 468.05 g/mol. IUPAC: methyl (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate.
Chemical Property Profile of Cefazolin delta-3-methyl ester
Property Insights of Cefazolin delta-3-methyl ester
The XLogP value of -0.54928 indicates that Cefazolin delta-3-methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.09 Ų indicates high polarity, suggesting Cefazolin delta-3-methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cefazolin delta-3-methyl ester has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cefazolin delta-3-methyl ester?
The CAS number of Cefazolin delta-3-methyl ester is 117929-10-9.
What is the molecular formula of Cefazolin delta-3-methyl ester?
The molecular formula of Cefazolin delta-3-methyl ester is C15H16N8O4S3.
What is the molecular weight of Cefazolin delta-3-methyl ester?
The molecular weight of Cefazolin delta-3-methyl ester is 468.05 g/mol.
Where can I buy Cefazolin delta-3-methyl ester?
You can request a quote for Cefazolin delta-3-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cefazolin delta-3-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cefazolin delta-3-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.