Himastatin
TL;DR: Himastatin (CAS 126775-74-4) is a chemical compound with molecular formula C72H104N14O20 and molecular weight 1484.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4R,7S,12R,14R,17S,20R,23S,31R)-28-[(1S,4R,7S,12R,14R,17S,20R,23S,31R)-12,31-dihydroxy-20-[(1S)-1-hydroxyethyl]-17-(2-methylpropyl)-2,5,8,15,18,21-hexaoxo-4,7-di(propan-2-yl)-6-oxa-3,9,10,16,19,22,24-heptazapentacyclo[20.10.0.09,14.023,31.025,30]dotriaconta-25(30),26,28-trien-28-yl]-12,31-dihydroxy-20-[(1S)-1-hydroxyethyl]-17-(2-methylpropyl)-4,7-di(propan-2-yl)-6-oxa-3,9,10,16,19,22,24-heptazapentacyclo[20.10.0.09,14.023,31.025,30]dotriaconta-25(30),26,28-triene-2,5,8,15,18,21-hexone
Also Known As: Himastatin, HY-N144684, J1.052.774K, (1S,4R,7S,12R,14R,17S,20R,23S,31R)-28-[(1S,4R,7S,12R,14R,17S,20R,23S,31R)-12,31-dihydroxy-20-[(1S)-1-hydroxyethyl]-17-(2-methylpropyl)-2,5,8,15,18,21-hexaoxo-4,7-di(propan-2-yl)-6-oxa-3,9,10,16,19,22,24-heptazapentacyclo[20.10.0.09,14.023,31.025,30]dotriaconta-25(30),26,28-trien-28-yl]-12,31-dihydroxy-20-[(1S)-1-hydroxyethyl]-17-(2-methylpropyl)-4,7-di(propan-2-yl)-6-oxa-3,9,10,16,19,22,24-heptazapentacyclo[20.10.0.09,14.023,31.025,30]dotriaconta-25(30),26,28-triene-2,5,8,15,18,21-hexone, (1S,4R,7S,12R,14R,17S,20R,23S,31R)-28-((1S,4R,7S,12R,14R,17S,20R,23S,31R)-12,31-dihydroxy-20-((1S)-1-hydroxyethyl)-17-(2-methylpropyl)-2,5,8,15,18,21-hexaoxo-4,7-di(propan-2-yl)-6-oxa-3,9,10,16,19,22,24-heptazapentacyclo(20.10.0.09,14.023,31.025,30)dotriaconta-25(30),26,28-trien-28-yl)-12,31-dihydroxy-20-((1S)-1-hydroxyethyl)-17-(2-methylpropyl)-4,7-di(propan-2-yl)-6-oxa-3,9,10,16,19,22,24-heptazapentacyclo(20.10.0.09,14.023,31.025,30)dotriaconta-25(30),26,28-triene-2,5,8,15,18,21-hexone
| Molecular Formula | C72H104N14O20 |
|---|---|
| Molecular Weight | 1484.76 g/mol |
| LogP | -2.396 |
| Topological Polar Surface Area | 477.94 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 11 |
| Exact Mass | 1484.7551 |
| Heavy Atoms | 106 |
| Complexity | 3540.531 |
Chemical Identifiers
| CAS Number | 126775-74-4 |
|---|---|
| SMILES | C[C@@H]([C@@H]1C(=O)N2[C@@H](C[C@@]3([C@H]2NC4=C3C=C(C=C4)C5=CC6=C(C=C5)N[C@@H]7[C@]6(C[C@@H]8N7C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]9C[C@H](CNN9C(=O)[C@@H](OC(=O)[C@H](NC8=O)C(C)C)C(C)C)O)CC(C)C)[C@H](C)O)O)O)C(=O)N[C@@H](C(=O)O[C@H](C(=O)N2[C@H](C[C@H](CN2)O)C(=O)N[C@H](C(=O)N1)CC(C)C)C(C)C)C(C)C)O |
Product Overview
Himastatin (CAS 126775-74-4), with molecular formula C72H104N14O20 and molecular weight 1484.76 g/mol. IUPAC: (1S,4R,7S,12R,14R,17S,20R,23S,31R)-28-[(1S,4R,7S,12R,14R,17S,20R,23S,31R)-12,31-dihydroxy-20-[(1S)-1-hydroxyethyl]-17-(2-methylpropyl)-2,5,8,15,18,21-hexaoxo-4,7-di(propan-2-yl)-6-oxa-3,9,10,16,19,22,24-heptazapentacyclo[20.10.0.09,14.023,31.025,30]dotriaconta-25(30),26,28-trien-28-yl]-12,31-dihydroxy-20-[(1S)-1-hydroxyethyl]-17-(2-methylpropyl)-4,7-di(propan-2-yl)-6-oxa-3,9,10,16,19,22,24-heptazapentacyclo[20.10.0.09,14.023,31.025,30]dotriaconta-25(30),26,28-triene-2,5,8,15,18,21-hexone.
Chemical Property Profile of Himastatin
Property Insights of Himastatin
The XLogP value of -2.396 indicates that Himastatin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 477.94 Ų indicates high polarity, suggesting Himastatin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Himastatin has 16 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Himastatin?
The CAS number of Himastatin is 126775-74-4.
What is the molecular formula of Himastatin?
The molecular formula of Himastatin is C72H104N14O20.
What is the molecular weight of Himastatin?
The molecular weight of Himastatin is 1484.76 g/mol.
Where can I buy Himastatin?
You can request a quote for Himastatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Himastatin?
Yes, KEHONG BIO provides custom synthesis services for Himastatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.