Timirdine
TL;DR: Timirdine (CAS 100417-09-2) is a chemical compound with molecular formula C9H10ClN3S and molecular weight 227.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline
Also Known As: Timirdine, Timirdine [INN], timirdina, timirdinum, 5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline
| Molecular Formula | C9H10ClN3S |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 2.41017 |
| Topological Polar Surface Area | 53.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.0284 |
| Heavy Atoms | 14 |
| Complexity | 380.31985 |
Chemical Identifiers
| CAS Number | 100417-09-2 |
|---|---|
| SMILES | C1CSC(=N)N1C2=C(C=C(C=C2)Cl)N |
Product Overview
Timirdine (CAS 100417-09-2), with molecular formula C9H10ClN3S and molecular weight 227.03 g/mol. IUPAC: 5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline.
Chemical Property Profile of Timirdine
Property Insights of Timirdine
The XLogP value of 2.41017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Timirdine. With a topological polar surface area (TPSA) of 53.11 Ų, Timirdine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Timirdine has 2 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 Timirdine?
The CAS number of Timirdine is 100417-09-2.
What is the molecular formula of Timirdine?
The molecular formula of Timirdine is C9H10ClN3S.
What is the molecular weight of Timirdine?
The molecular weight of Timirdine is 227.03 g/mol.
Where can I buy Timirdine?
You can request a quote for Timirdine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Timirdine?
Yes, KEHONG BIO provides custom synthesis services for Timirdine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.