Chlorhexidine gluconate
TL;DR: Chlorhexidine gluconate (CAS 1308292-96-7) is a chemical compound with molecular formula C28H42Cl2N10O7 and molecular weight 700.2615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
Also Known As: Chlorhexidine gluconate, CHLORHEXIDINE DIGLUCONATE, (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid, CID 9939931
Technical Specifications
| Molecular Formula | C28H42Cl2N10O7 |
| Molecular Weight | 700.2615 g/mol |
| XLogP | -0.1565 |
| Topological Polar Surface Area (TPSA) | 316.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 700.2615 Da |
| Heavy Atoms | 47 |
| Complexity | 819.0 |
| SMILES | C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O |
| InChIKey | KUXUALPOSMRJSW-IFWQJVLJSA-N |
Chemical Property Profile of Chlorhexidine gluconate
Property Insights of Chlorhexidine gluconate
The XLogP value of -0.1565 indicates that Chlorhexidine gluconate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 316.0 Ų indicates high polarity, suggesting Chlorhexidine gluconate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chlorhexidine gluconate has 12 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Chlorhexidine gluconate?
The CAS number of Chlorhexidine gluconate is 1308292-96-7.
What is the molecular formula of Chlorhexidine gluconate?
The molecular formula of Chlorhexidine gluconate is C28H42Cl2N10O7.
What is the molecular weight of Chlorhexidine gluconate?
The molecular weight of Chlorhexidine gluconate is 700.2615 g/mol.
Where can I buy Chlorhexidine gluconate?
You can request a quote for Chlorhexidine gluconate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chlorhexidine gluconate?
Yes, CoreyChem provides custom synthesis services for Chlorhexidine gluconate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.