替吡嘧啶
TL;DR: 替吡嘧啶 (CAS 183204-72-0) is a chemical compound with molecular formula C9H11ClN4O2 and molecular weight 242.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
替吡嘧啶
5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione
Also Known As: Tipiracil, Tipiracilo, TPI (freebase), tipiracilum, Nepicastat
| Molecular Formula | C9H11ClN4O2 |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 0.28967 |
| Topological Polar Surface Area | 92.81 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.05705 |
| Heavy Atoms | 16 |
| Complexity | 533.0459 |
Chemical Identifiers
| CAS Number | 183204-72-0 |
|---|---|
| SMILES | C1CC(=N)N(C1)CC2=C(C(=O)NC(=O)N2)Cl |
Product Overview
替吡嘧啶 (CAS 183204-72-0), with molecular formula C9H11ClN4O2 and molecular weight 242.06 g/mol. IUPAC: 5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 替吡嘧啶
Property Insights of 替吡嘧啶
The XLogP value of 0.28967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 替吡嘧啶. The TPSA of 92.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 替吡嘧啶. Following Lipinski's Rule of Five, 替吡嘧啶 has 3 hydrogen bond donor(s) and 3 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 替吡嘧啶?
The CAS number of 替吡嘧啶 is 183204-72-0.
What is the molecular formula of 替吡嘧啶?
The molecular formula of 替吡嘧啶 is C9H11ClN4O2.
What is the molecular weight of 替吡嘧啶?
The molecular weight of 替吡嘧啶 is 242.06 g/mol.
Where can I buy 替吡嘧啶?
You can request a quote for 替吡嘧啶 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 替吡嘧啶?
Yes, KEHONG BIO provides custom synthesis services for 替吡嘧啶 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.