CK 492B
TL;DR: CK 492B (CAS 64169-11-5) is a chemical compound with molecular formula C36H66N10O8S2 and molecular weight 830.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-3-[N'-[3-[4-[3-[[(1-adamantylcarbamoylamino)-aminomethylidene]amino]propyl]piperazin-1-yl]propyl]carbamimidoyl]urea;methanesulfonic acid
Also Known As: CK 492B, CK0492B, CK-492B, CK492B, 1,4-Bis-(3-(1-adamantyl carbamylguanidino)propyl)piperazine
| Molecular Formula | C36H66N10O8S2 |
|---|---|
| Molecular Weight | 830.45 g/mol |
| LogP | 1.56 |
| Topological Polar Surface Area | 291.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 830.4506 |
| Heavy Atoms | 56 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 64169-11-5 |
|---|---|
| SMILES | CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CCCN=C(N)NC(=O)NC23CC4CC(C2)CC(C4)C3)CCCN=C(N)NC(=O)NC56CC7CC(C5)CC(C7)C6 |
| InChIKey | VLHVQVUMLUZGET-UHFFFAOYSA-N |
Product Overview
CK 492B (CAS 64169-11-5), with molecular formula C36H66N10O8S2 and molecular weight 830.45 g/mol. IUPAC: 1-(1-adamantyl)-3-[N'-[3-[4-[3-[[(1-adamantylcarbamoylamino)-aminomethylidene]amino]propyl]piperazin-1-yl]propyl]carbamimidoyl]urea;methanesulfonic acid.
Chemical Property Profile of CK 492B
Property Insights of CK 492B
The XLogP value of 1.56 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CK 492B. The TPSA of 291.0 Ų indicates high polarity, suggesting CK 492B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CK 492B has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CK 492B?
The CAS number of CK 492B is 64169-11-5.
What is the molecular formula of CK 492B?
The molecular formula of CK 492B is C36H66N10O8S2.
What is the molecular weight of CK 492B?
The molecular weight of CK 492B is 830.45 g/mol.
Where can I buy CK 492B?
You can request a quote for CK 492B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CK 492B?
Yes, KEHONG BIO provides custom synthesis services for CK 492B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.