Cyclothialidine
TL;DR: Cyclothialidine (CAS 1753-27-1) is a chemical compound with molecular formula C26H35N5O12S and molecular weight 641.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(5R,8S)-8-[[(2S,3R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-3-hydroxypyrrolidine-2-carbonyl]amino]-14,16-dihydroxy-13-methyl-7,11-dioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carbonyl]amino]propanoic acid
Also Known As: Cyclothialidine, Cyclothialidine A, Ro 09-1437, ((4R,7S)-7-((2S,3R)-1-(L-seryl)-3-hydroxypyrrolidine-2-carboxamido)-12,14-dihydroxy-11-methyl-6,10-dioxo-1,3,4,5,6,7,8,10-octahydrobenzo[j][1]oxa[8]thia[5]azacyclododecine-4-carbonyl)-L-alanine, L-Alanine, N-(S-((2-carboxy-4,6-dihydroxy-3-methylphenyl)methyl)-N-(N-(cis-3-hydroxy-1-L-seryl-L-prolyl)-L-seryl)-L-cysteinyl)-, kappa-lactone
| Molecular Formula | C26H35N5O12S |
|---|---|
| Molecular Weight | 641.20 g/mol |
| LogP | -4.5 |
| Topological Polar Surface Area | 303.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 641.2003 |
| Heavy Atoms | 44 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 1753-27-1 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1O)O)CSC[C@H](NC(=O)[C@H](COC2=O)NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H](CO)N)O)C(=O)N[C@@H](C)C(=O)O |
| InChIKey | HMHQWJDFNVJCHA-BTZKOOKSSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclothialidine (CAS 1753-27-1), with molecular formula C26H35N5O12S and molecular weight 641.20 g/mol. IUPAC: (2S)-2-[[(5R,8S)-8-[[(2S,3R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-3-hydroxypyrrolidine-2-carbonyl]amino]-14,16-dihydroxy-13-methyl-7,11-dioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carbonyl]amino]propanoic acid.
Chemical Property Profile of Cyclothialidine
Property Insights of Cyclothialidine
The XLogP value of -4.5 indicates that Cyclothialidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 303.0 Ų indicates high polarity, suggesting Cyclothialidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclothialidine has 9 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclothialidine?
The CAS number of Cyclothialidine is 1753-27-1.
What is the molecular formula of Cyclothialidine?
The molecular formula of Cyclothialidine is C26H35N5O12S.
What is the molecular weight of Cyclothialidine?
The molecular weight of Cyclothialidine is 641.20 g/mol.
Where can I buy Cyclothialidine?
You can request a quote for Cyclothialidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclothialidine?
Yes, KEHONG BIO provides custom synthesis services for Cyclothialidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.