hydrochloride
TL;DR: hydrochloride (CAS 21462-39-5) is a chemical compound with molecular formula C18H34Cl2N2O5S and molecular weight 460.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrochloride
Also Known As: hydrochloride, Dalacin (TN), Clindamycin hydrochloride, Clindamycin hydrochloride monohydrate, I06-1757
| Molecular Formula | C18H34Cl2N2O5S |
|---|---|
| Molecular Weight | 460.16 g/mol |
| LogP | 0.8113 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.15656 |
| Heavy Atoms | 28 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 21462-39-5 |
|---|---|
| SMILES | CCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(C)Cl.Cl |
| InChIKey | AUODDLQVRAJAJM-GQYOKNPUSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
hydrochloride (CAS 21462-39-5), with molecular formula C18H34Cl2N2O5S and molecular weight 460.16 g/mol. IUPAC: (2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrochloride.
Chemical Property Profile of hydrochloride
Property Insights of hydrochloride
The XLogP value of 0.8113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for hydrochloride. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for hydrochloride. Following Lipinski's Rule of Five, hydrochloride has 5 hydrogen bond donor(s) and 7 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 hydrochloride?
The CAS number of hydrochloride is 21462-39-5.
What is the molecular formula of hydrochloride?
The molecular formula of hydrochloride is C18H34Cl2N2O5S.
What is the molecular weight of hydrochloride?
The molecular weight of hydrochloride is 460.16 g/mol.
Where can I buy hydrochloride?
You can request a quote for hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.