Chlorodestruxin
TL;DR: Chlorodestruxin (CAS 121723-07-7) is a chemical compound with molecular formula C29H48ClN5O8 and molecular weight 629.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10R,13R,16R,19S)-16-butan-2-yl-3-(3-chloro-2-hydroxypropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Also Known As: Chlorodestruxin, DESTRUXIN CHL, (10R,13R,16R,19S)-16-butan-2-yl-3-(3-chloro-2-hydroxypropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone, (3R,6R,9R,21aS)-3-(Butan-2-yl)-16-(3-chloro-2-hydroxypropyl)-5,8,9-trimethyl-6-(propan-2-yl)dodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone
| Molecular Formula | C29H48ClN5O8 |
|---|---|
| Molecular Weight | 629.32 g/mol |
| LogP | 0.2597 |
| Topological Polar Surface Area | 165.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 629.31915 |
| Heavy Atoms | 43 |
| Complexity | 1042.3468 |
Chemical Identifiers
| CAS Number | 121723-07-7 |
|---|---|
| SMILES | CCC(C)[C@@H]1C(=O)N([C@@H](C(=O)N([C@@H](C(=O)NCCC(=O)OC(C(=O)N2CCC[C@H]2C(=O)N1)CC(CCl)O)C)C)C(C)C)C |
Product Overview
Chlorodestruxin (CAS 121723-07-7), with molecular formula C29H48ClN5O8 and molecular weight 629.32 g/mol. IUPAC: (10R,13R,16R,19S)-16-butan-2-yl-3-(3-chloro-2-hydroxypropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone.
Chemical Property Profile of Chlorodestruxin
Property Insights of Chlorodestruxin
The XLogP value of 0.2597 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorodestruxin. The TPSA of 165.66 Ų indicates high polarity, suggesting Chlorodestruxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chlorodestruxin has 3 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 Chlorodestruxin?
The CAS number of Chlorodestruxin is 121723-07-7.
What is the molecular formula of Chlorodestruxin?
The molecular formula of Chlorodestruxin is C29H48ClN5O8.
What is the molecular weight of Chlorodestruxin?
The molecular weight of Chlorodestruxin is 629.32 g/mol.
Where can I buy Chlorodestruxin?
You can request a quote for Chlorodestruxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorodestruxin?
Yes, KEHONG BIO provides custom synthesis services for Chlorodestruxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.