7-(4-Carboxybutanamido)cephalosporin mustard
TL;DR: 7-(4-Carboxybutanamido)cephalosporin mustard (CAS 142478-50-0) is a chemical compound with molecular formula C24H28Cl2N4O8S and molecular weight 602.10046 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6R,7R)-3-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoyloxymethyl]-7-(4-carboxybutanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 7-Cbnceph mustard, 7-(4-Carboxybutanamido)cephalosporin mustard, (6R-trans)-3-(((((4-(Bis(2-chloroethyl)amino)phenyl)amino)carbonyl)oxy)methyl)-7-((4-carboxy-1-oxobutyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((((4-(Bis(2-chloroethyl)amino)phenyl)amino)carbonyl)oxy)methyl)-7-((4-carboxy-1-oxobutyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid (6R-trans)-, (6R,7R)-3-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoyloxymethyl]-7-(4-carboxybutanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Technical Specifications
| Molecular Formula | C24H28Cl2N4O8S |
| Molecular Weight | 602.10046 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 191.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 602.10046 Da |
| Heavy Atoms | 39 |
| Complexity | 970.0 |
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CCCC(=O)O)C(=O)O)COC(=O)NC3=CC=C(C=C3)N(CCCl)CCCl |
| InChIKey | ZOYULASXKQQRQK-DENIHFKCSA-N |
Chemical Property Profile of 7-(4-Carboxybutanamido)cephalosporin mustard
Property Insights of 7-(4-Carboxybutanamido)cephalosporin mustard
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-Carboxybutanamido)cephalosporin mustard. The TPSA of 191.0 Ų indicates high polarity, suggesting 7-(4-Carboxybutanamido)cephalosporin mustard may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-(4-Carboxybutanamido)cephalosporin mustard has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 7-(4-Carboxybutanamido)cephalosporin mustard?
The CAS number of 7-(4-Carboxybutanamido)cephalosporin mustard is 142478-50-0.
What is the molecular formula of 7-(4-Carboxybutanamido)cephalosporin mustard?
The molecular formula of 7-(4-Carboxybutanamido)cephalosporin mustard is C24H28Cl2N4O8S.
What is the molecular weight of 7-(4-Carboxybutanamido)cephalosporin mustard?
The molecular weight of 7-(4-Carboxybutanamido)cephalosporin mustard is 602.10046 g/mol.
Where can I buy 7-(4-Carboxybutanamido)cephalosporin mustard?
You can request a quote for 7-(4-Carboxybutanamido)cephalosporin mustard directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-(4-Carboxybutanamido)cephalosporin mustard?
Yes, CoreyChem provides custom synthesis services for 7-(4-Carboxybutanamido)cephalosporin mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.