Chlorocardicin
TL;DR: Chlorocardicin (CAS 95927-71-2) is a chemical compound with molecular formula C23H23ClN4O9 and molecular weight 534.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-amino-4-[4-[(Z)-C-[[(3S)-1-[(R)-carboxy-(3-chloro-4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamoyl]-N-hydroxycarbonimidoyl]phenoxy]butanoic acid
Also Known As: Chlorocardicin, HY-N14108, (2R)-2-amino-4-[4-[(Z)-C-[[(3S)-1-[(R)-carboxy-(3-chloro-4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamoyl]-N-hydroxycarbonimidoyl]phenoxy]butanoic acid, (2R)-2-amino-4-{4-[(Z)-{[(3S)-1-[(R)-carboxy(3-chloro-4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamoyl}(hydroxyimino)methyl]phenoxy}butanoic acid, (3S,alphaR)-3-[[[4-[(R)-3-Amino-3-carboxypropoxy]phenyl][(Z)-hydroxyimino]acetyl]amino]-alpha-(3-chloro-4-hydroxyphenyl)-2-oxo-1-azetidineacetic acid
| Molecular Formula | C23H23ClN4O9 |
|---|---|
| Molecular Weight | 534.12 g/mol |
| LogP | 0.5576 |
| Topological Polar Surface Area | 212.08 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 534.11536 |
| Heavy Atoms | 37 |
| Complexity | 1235.2227 |
Chemical Identifiers
| CAS Number | 95927-71-2 |
|---|---|
| SMILES | C1[C@@H](C(=O)N1[C@H](C2=CC(=C(C=C2)O)Cl)C(=O)O)NC(=O)/C(=N\O)/C3=CC=C(C=C3)OCC[C@H](C(=O)O)N |
Product Overview
Chlorocardicin (CAS 95927-71-2), with molecular formula C23H23ClN4O9 and molecular weight 534.12 g/mol. IUPAC: (2R)-2-amino-4-[4-[(Z)-C-[[(3S)-1-[(R)-carboxy-(3-chloro-4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamoyl]-N-hydroxycarbonimidoyl]phenoxy]butanoic acid.
Chemical Property Profile of Chlorocardicin
Property Insights of Chlorocardicin
The XLogP value of 0.5576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorocardicin. The TPSA of 212.08 Ų indicates high polarity, suggesting Chlorocardicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chlorocardicin has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chlorocardicin?
The CAS number of Chlorocardicin is 95927-71-2.
What is the molecular formula of Chlorocardicin?
The molecular formula of Chlorocardicin is C23H23ClN4O9.
What is the molecular weight of Chlorocardicin?
The molecular weight of Chlorocardicin is 534.12 g/mol.
Where can I buy Chlorocardicin?
You can request a quote for Chlorocardicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorocardicin?
Yes, KEHONG BIO provides custom synthesis services for Chlorocardicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.