Pksi 1007
TL;DR: Pksi 1007 (CAS 123847-40-5) is a chemical compound with molecular formula C23H36N6O4 and molecular weight 460.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]benzoate
Also Known As: Pksi 1007, ethyl 4-[[2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]benzoate, 4-(Aminomethyl)-N-{5-(carbamimidoylamino)-1-[4-(ethoxycarbonyl)anilino]-1-oxopentan-2-yl}cyclohexane-1-carboximidic acid, 4-(Aminomethyl)-N-{5-carbamimidamido-1-[4-(ethoxycarbonyl)anilino]-1-oxopentan-2-yl}cyclohexane-1-carboximidic acid, Benzoic acid, 4-((5-((aminoiminomethyl)amino)-2-(((4-(aminomethyl)cyclohexyl)carbonyl)amino)-1-oxopentyl)amino)-, ethyl ester, (1(S)-trans)-
| Molecular Formula | C23H36N6O4 |
|---|---|
| Molecular Weight | 460.28 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 460.27982 |
| Heavy Atoms | 33 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 123847-40-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C2CCC(CC2)CN |
| InChIKey | NSTOUUVYBNABSX-UHFFFAOYSA-N |
Product Overview
Pksi 1007 (CAS 123847-40-5), with molecular formula C23H36N6O4 and molecular weight 460.28 g/mol. IUPAC: ethyl 4-[[2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]benzoate.
Chemical Property Profile of Pksi 1007
Property Insights of Pksi 1007
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pksi 1007. The TPSA of 175.0 Ų indicates high polarity, suggesting Pksi 1007 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pksi 1007 has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pksi 1007?
The CAS number of Pksi 1007 is 123847-40-5.
What is the molecular formula of Pksi 1007?
The molecular formula of Pksi 1007 is C23H36N6O4.
What is the molecular weight of Pksi 1007?
The molecular weight of Pksi 1007 is 460.28 g/mol.
Where can I buy Pksi 1007?
You can request a quote for Pksi 1007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pksi 1007?
Yes, KEHONG BIO provides custom synthesis services for Pksi 1007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.