Mlr 52
TL;DR: Mlr 52 (CAS 155416-34-5) is a chemical compound with molecular formula C27H23N3O5 and molecular weight 469.16376 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one
Also Known As: Mlr 52, KST-1A2378, (5r,6s,7r,8s,9s)-7,8-dihydroxy-6-methoxy-5-methyl-6,7,8,9,15,16-hexahydro-5h,14h-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one, (2R,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one, (5S,6S,7R,8S,9R)-8-Methoxy-9-methyl-6,7,8,9-tetrahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacene-6,7,16-triol
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C27H23N3O5 |
| Molecular Weight | 469.16376 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 97.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 469.16376 Da |
| Heavy Atoms | 35 |
| Complexity | 919.0 |
| SMILES | C[C@]12[C@H]([C@@H]([C@@H]([C@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)O)O)OC |
| InChIKey | CCOPBVQTBWBCIK-IKERNBKFSA-N |
Chemical Property Profile of Mlr 52
Property Insights of Mlr 52
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mlr 52. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Mlr 52. Following Lipinski's Rule of Five, Mlr 52 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Mlr 52?
The CAS number of Mlr 52 is 155416-34-5.
What is the molecular formula of Mlr 52?
The molecular formula of Mlr 52 is C27H23N3O5.
What is the molecular weight of Mlr 52?
The molecular weight of Mlr 52 is 469.16376 g/mol.
Where can I buy Mlr 52?
You can request a quote for Mlr 52 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Mlr 52?
Yes, CoreyChem provides custom synthesis services for Mlr 52 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.