UR-3216, UR 3216, UR3216
TL;DR: UR-3216, UR 3216, UR3216 (CAS 220386-65-2) is a chemical compound with molecular formula C27H29N7O7 and molecular weight 563.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-[(2S)-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]benzoyl]amino]-3-(4-nitrophenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]acetate
Also Known As: UR-3216, UR 3216, UR3216, ethyl 2-[5-[(2S)-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]benzoyl]amino]-3-(4-nitrophenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]acetate
| Molecular Formula | C27H29N7O7 |
|---|---|
| Molecular Weight | 563.21 g/mol |
| LogP | 1.3749 |
| Topological Polar Surface Area | 195.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 563.2128 |
| Heavy Atoms | 41 |
| Complexity | 1466.1235 |
Chemical Identifiers
| CAS Number | 220386-65-2 |
|---|---|
| SMILES | CCOC(=O)CN1C=C2CN(CCC2=N1)C(=O)[C@H](CC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)/C(=N/O)/N |
Product Overview
UR-3216, UR 3216, UR3216 (CAS 220386-65-2), with molecular formula C27H29N7O7 and molecular weight 563.21 g/mol. IUPAC: ethyl 2-[5-[(2S)-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]benzoyl]amino]-3-(4-nitrophenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]acetate.
Chemical Property Profile of UR-3216, UR 3216, UR3216
Property Insights of UR-3216, UR 3216, UR3216
The XLogP value of 1.3749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UR-3216, UR 3216, UR3216. The TPSA of 195.28 Ų indicates high polarity, suggesting UR-3216, UR 3216, UR3216 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, UR-3216, UR 3216, UR3216 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UR-3216, UR 3216, UR3216?
The CAS number of UR-3216, UR 3216, UR3216 is 220386-65-2.
What is the molecular formula of UR-3216, UR 3216, UR3216?
The molecular formula of UR-3216, UR 3216, UR3216 is C27H29N7O7.
What is the molecular weight of UR-3216, UR 3216, UR3216?
The molecular weight of UR-3216, UR 3216, UR3216 is 563.21 g/mol.
Where can I buy UR-3216, UR 3216, UR3216?
You can request a quote for UR-3216, UR 3216, UR3216 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UR-3216, UR 3216, UR3216?
Yes, KEHONG BIO provides custom synthesis services for UR-3216, UR 3216, UR3216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.