PMX53
TL;DR: PMX53 (CAS 219639-70-0) is a chemical compound with molecular formula C47H65N11O7 and molecular weight 895.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-acetamido-N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]-3-phenylpropanamide
Also Known As: PMX53, AcF-(OPdChaWR), PMX 53, PMX53 cpd, AcF-[OP(D-Cha)WR]
| Molecular Formula | C47H65N11O7 |
|---|---|
| Molecular Weight | 895.51 g/mol |
| LogP | 1.322 |
| Topological Polar Surface Area | 275.1 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 895.50684 |
| Heavy Atoms | 65 |
| Complexity | 2168.4243 |
Chemical Identifiers
| CAS Number | 219639-70-0 |
|---|---|
| SMILES | CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2CCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]3CCCN3C2=O)CC4CCCCC4)CC5=CNC6=CC=CC=C65)CCCN=C(N)N |
Product Overview
PMX53 (CAS 219639-70-0), with molecular formula C47H65N11O7 and molecular weight 895.51 g/mol. IUPAC: (2S)-2-acetamido-N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]-3-phenylpropanamide.
Chemical Property Profile of PMX53
Property Insights of PMX53
The XLogP value of 1.322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PMX53. The TPSA of 275.1 Ų indicates high polarity, suggesting PMX53 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PMX53 has 9 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 PMX53?
The CAS number of PMX53 is 219639-70-0.
What is the molecular formula of PMX53?
The molecular formula of PMX53 is C47H65N11O7.
What is the molecular weight of PMX53?
The molecular weight of PMX53 is 895.51 g/mol.
Where can I buy PMX53?
You can request a quote for PMX53 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PMX53?
Yes, KEHONG BIO provides custom synthesis services for PMX53 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.