Cetocycline hydrochloride
TL;DR: Cetocycline hydrochloride (CAS 63456-76-8) is a chemical compound with molecular formula C22H22ClNO7 and molecular weight 447.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4aR,12aS)-3-acetyl-1-amino-4,4a,6,7-tetrahydroxy-8,11-dimethyl-12,12a-dihydro-1H-tetracene-2,5-dione;hydrochloride
Also Known As: Cetocycline hydrochloride, Cetocycline HCl, Abbott 40728, Chelocardin hydrochloride, Chelocardin monohydrochloride
| Molecular Formula | C22H22ClNO7 |
|---|---|
| Molecular Weight | 447.11 g/mol |
| LogP | 1.68684 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 447.1085 |
| Heavy Atoms | 31 |
| Complexity | 837.0 |
Chemical Identifiers
| CAS Number | 63456-76-8 |
|---|---|
| SMILES | CC1=C(C2=C(C3=C(C[C@H]4[C@H](C(=O)C(=C([C@]4(C3=O)O)O)C(=O)C)N)C(=C2C=C1)C)O)O.Cl |
| InChIKey | PPJJEMJYGGEVPV-JKPGXYSKSA-N |
Product Overview
Cetocycline hydrochloride (CAS 63456-76-8), with molecular formula C22H22ClNO7 and molecular weight 447.11 g/mol. IUPAC: (1R,4aR,12aS)-3-acetyl-1-amino-4,4a,6,7-tetrahydroxy-8,11-dimethyl-12,12a-dihydro-1H-tetracene-2,5-dione;hydrochloride.
Chemical Property Profile of Cetocycline hydrochloride
Property Insights of Cetocycline hydrochloride
The XLogP value of 1.68684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cetocycline hydrochloride. The TPSA of 158.0 Ų indicates high polarity, suggesting Cetocycline hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cetocycline hydrochloride has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cetocycline hydrochloride?
The CAS number of Cetocycline hydrochloride is 63456-76-8.
What is the molecular formula of Cetocycline hydrochloride?
The molecular formula of Cetocycline hydrochloride is C22H22ClNO7.
What is the molecular weight of Cetocycline hydrochloride?
The molecular weight of Cetocycline hydrochloride is 447.11 g/mol.
Where can I buy Cetocycline hydrochloride?
You can request a quote for Cetocycline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cetocycline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Cetocycline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.