Ro-44-3888
TL;DR: Ro-44-3888 (CAS 144412-18-0) is a chemical compound with molecular formula C18H24N4O5 and molecular weight 376.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(2S)-2-[(4-carbamimidoylbenzoyl)amino]propanoyl]piperidin-4-yl]oxyacetic acid
Also Known As: sibrafiban (active form), Ro-44-3888, Ro 44-3888, {1-[2-(4-Carbamimidoyl-benzoylamino)-propionyl]-piperidin-4-yloxy}-acetic acid, 1-[N-[4-(Aminoiminomethyl)benzoyl]alanyl]piperidin-4-yloxyacetic acid
| Molecular Formula | C18H24N4O5 |
|---|---|
| Molecular Weight | 376.17 g/mol |
| LogP | 0.18117 |
| Topological Polar Surface Area | 145.81 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.17468 |
| Heavy Atoms | 27 |
| Complexity | 710.9671 |
Chemical Identifiers
| CAS Number | 144412-18-0 |
|---|---|
| SMILES | C[C@@H](C(=O)N1CCC(CC1)OCC(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N |
Product Overview
Ro-44-3888 (CAS 144412-18-0), with molecular formula C18H24N4O5 and molecular weight 376.17 g/mol. IUPAC: 2-[1-[(2S)-2-[(4-carbamimidoylbenzoyl)amino]propanoyl]piperidin-4-yl]oxyacetic acid.
Chemical Property Profile of Ro-44-3888
Property Insights of Ro-44-3888
The XLogP value of 0.18117 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro-44-3888. The TPSA of 145.81 Ų indicates high polarity, suggesting Ro-44-3888 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ro-44-3888 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 Ro-44-3888?
The CAS number of Ro-44-3888 is 144412-18-0.
What is the molecular formula of Ro-44-3888?
The molecular formula of Ro-44-3888 is C18H24N4O5.
What is the molecular weight of Ro-44-3888?
The molecular weight of Ro-44-3888 is 376.17 g/mol.
Where can I buy Ro-44-3888?
You can request a quote for Ro-44-3888 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro-44-3888?
Yes, KEHONG BIO provides custom synthesis services for Ro-44-3888 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.