Y-27632相关化合物
TL;DR: Y-27632相关化合物 (CAS 129830-38-2) is a chemical compound with molecular formula C26H26N4O3 and molecular weight 442.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Y-27632相关化合物
2-[4-[1-(1-aminoethyl)pyrrol-3-yl]oxyphenyl]-3-(7-carbamimidoylnaphthalen-2-yl)propanoic acid
Also Known As: Y-27632 2HCl, 2-[[3-(3,4-Dimethoxyphenyl)-1-oxo-2-propenyl]amino]benzoic Acid, 2-[4-[1-(1-aminoethyl)pyrrol-3-yl]oxyphenyl]-3-(7-carbamimidoylnaphthalen-2-yl)propanoic Acid, 2-(4-{[1-(1-aminoethyl)-1h-pyrrol-3-yl]oxy}phenyl)-3-(7-carbamimidoylnaphthalen-2-yl)propanoic acid
| Molecular Formula | C26H26N4O3 |
|---|---|
| Molecular Weight | 442.20 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.2005 |
| Heavy Atoms | 33 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 129830-38-2 |
|---|---|
| SMILES | CC(N)N1C=CC(=C1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O |
| InChIKey | FCZIGLIZRGMDGN-UHFFFAOYSA-N |
Product Overview
Y-27632相关化合物 (CAS 129830-38-2), with molecular formula C26H26N4O3 and molecular weight 442.20 g/mol. IUPAC: 2-[4-[1-(1-aminoethyl)pyrrol-3-yl]oxyphenyl]-3-(7-carbamimidoylnaphthalen-2-yl)propanoic acid.
Chemical Property Profile of Y-27632相关化合物
Property Insights of Y-27632相关化合物
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Y-27632相关化合物. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Y-27632相关化合物. Following Lipinski's Rule of Five, CTK7I4168 has 4 hydrogen bond donor(s) and 5 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 CTK7I4168?
The CAS number of CTK7I4168 is 129830-38-2.
What is the molecular formula of CTK7I4168?
The molecular formula of CTK7I4168 is C26H26N4O3.
What is the molecular weight of CTK7I4168?
The molecular weight of CTK7I4168 is 442.20 g/mol.
Where can I buy CTK7I4168?
You can request a quote for CTK7I4168 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK7I4168?
Yes, KEHONG BIO provides custom synthesis services for CTK7I4168 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.