4',5'-Dihydrocefradine
TL;DR: 4',5'-Dihydrocefradine (CAS 41863-46-1) is a chemical compound with molecular formula C16H21N3O4S and molecular weight 351.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[2-amino-2-(cyclohexen-1-yl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Cefradine Impurity 1, 4',5'-Dihydrocefradine, Sce 100, KST-1A4750, (6R,7R)-7-[[2-amino-2-(cyclohexen-1-yl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C16H21N3O4S |
|---|---|
| Molecular Weight | 351.13 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.12527 |
| Heavy Atoms | 24 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 41863-46-1 |
|---|---|
| SMILES | CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C3=CCCCC3)N)SC1)C(=O)O |
| InChIKey | BNLDYUJJDMUOPZ-HUFXEGEASA-N |
Product Overview
4',5'-Dihydrocefradine (CAS 41863-46-1), with molecular formula C16H21N3O4S and molecular weight 351.13 g/mol. IUPAC: (6R,7R)-7-[[2-amino-2-(cyclohexen-1-yl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 4',5'-Dihydrocefradine
Property Insights of 4',5'-Dihydrocefradine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4',5'-Dihydrocefradine. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4',5'-Dihydrocefradine. Following Lipinski's Rule of Five, 4',5'-Dihydrocefradine has 3 hydrogen bond donor(s) and 6 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 4',5'-Dihydrocefradine?
The CAS number of 4',5'-Dihydrocefradine is 41863-46-1.
What is the molecular formula of 4',5'-Dihydrocefradine?
The molecular formula of 4',5'-Dihydrocefradine is C16H21N3O4S.
What is the molecular weight of 4',5'-Dihydrocefradine?
The molecular weight of 4',5'-Dihydrocefradine is 351.13 g/mol.
Where can I buy 4',5'-Dihydrocefradine?
You can request a quote for 4',5'-Dihydrocefradine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4',5'-Dihydrocefradine?
Yes, KEHONG BIO provides custom synthesis services for 4',5'-Dihydrocefradine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.