Cleromyrine I
TL;DR: Cleromyrine I (CAS 127279-06-5) is a chemical compound with molecular formula C30H44N6O6 and molecular weight 584.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-15-butan-2-yl-6-methyl-12-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Also Known As: Cleromyrine I, Cyclo(L-Ala-Gly-L-Pro-L-Ile-L-Val-L-Phe), NCI60_008241, cyclo(alanylglycylprolylisoleucylvalylphenylalanyl), 9-benzyl-12-isopropyl-6-methyl-15-sec-butyl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
| Molecular Formula | C30H44N6O6 |
|---|---|
| Molecular Weight | 584.33 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 584.3322 |
| Heavy Atoms | 42 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 127279-06-5 |
|---|---|
| SMILES | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N2CCCC2C(=O)N1)C)CC3=CC=CC=C3)C(C)C |
| InChIKey | PAPASISLWQPNNI-UHFFFAOYSA-N |
Product Overview
Cleromyrine I (CAS 127279-06-5), with molecular formula C30H44N6O6 and molecular weight 584.33 g/mol. IUPAC: 9-benzyl-15-butan-2-yl-6-methyl-12-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone.
Chemical Property Profile of Cleromyrine I
Property Insights of Cleromyrine I
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cleromyrine I. The TPSA of 166.0 Ų indicates high polarity, suggesting Cleromyrine I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cleromyrine I has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cleromyrine I?
The CAS number of Cleromyrine I is 127279-06-5.
What is the molecular formula of Cleromyrine I?
The molecular formula of Cleromyrine I is C30H44N6O6.
What is the molecular weight of Cleromyrine I?
The molecular weight of Cleromyrine I is 584.33 g/mol.
Where can I buy Cleromyrine I?
You can request a quote for Cleromyrine I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cleromyrine I?
Yes, KEHONG BIO provides custom synthesis services for Cleromyrine I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.