delta(3)-Cefotiam
TL;DR: delta(3)-Cefotiam (CAS 142182-63-6) is a chemical compound with molecular formula C18H23N9O4S3 and molecular weight 525.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
Also Known As: delta(3)-Cefotiam, Cefotiam Impurity 14, Cefotiam impuritydelta3, 7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid, 5-Thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid, 7-[[2-(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-
| Molecular Formula | C18H23N9O4S3 |
|---|---|
| Molecular Weight | 525.10 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 251.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 525.1035 |
| Heavy Atoms | 34 |
| Complexity | 834.0 |
Chemical Identifiers
| CAS Number | 142182-63-6 |
|---|---|
| SMILES | CN(C)CCN1C(=NN=N1)SCC2=CSC3C(C(=O)N3C2C(=O)O)NC(=O)CC4=CSC(=N4)N |
| InChIKey | DTZXOJSIJQTTJR-UHFFFAOYSA-N |
Product Overview
delta(3)-Cefotiam (CAS 142182-63-6), with molecular formula C18H23N9O4S3 and molecular weight 525.10 g/mol. IUPAC: 7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid.
Chemical Property Profile of delta(3)-Cefotiam
Property Insights of delta(3)-Cefotiam
The XLogP value of -3.0 indicates that delta(3)-Cefotiam is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 251.0 Ų indicates high polarity, suggesting delta(3)-Cefotiam may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, delta(3)-Cefotiam 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 delta(3)-Cefotiam?
The CAS number of delta(3)-Cefotiam is 142182-63-6.
What is the molecular formula of delta(3)-Cefotiam?
The molecular formula of delta(3)-Cefotiam is C18H23N9O4S3.
What is the molecular weight of delta(3)-Cefotiam?
The molecular weight of delta(3)-Cefotiam is 525.10 g/mol.
Where can I buy delta(3)-Cefotiam?
You can request a quote for delta(3)-Cefotiam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for delta(3)-Cefotiam?
Yes, KEHONG BIO provides custom synthesis services for delta(3)-Cefotiam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.