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9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine
TL;DR: 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine (CAS 254429-65-7) is a chemical compound with molecular formula C12H10ClN3S and molecular weight 263.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine
Also Known As: 2-n-Propylthiophene, 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine, Maybridge1_007512, 9-CHLORO-5-METHYL-5H-BENZO[5,6]THIINO[4,3-D]PYRIMIDIN-2-AMINE, 12W-0936
| Molecular Formula | C12H10ClN3S |
|---|---|
| Molecular Weight | 263.03 g/mol |
| LogP | 3.5459 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.02838 |
| Heavy Atoms | 17 |
| Complexity | 600.29974 |
Chemical Identifiers
| CAS Number | 254429-65-7 |
|---|---|
| SMILES | CC1C2=CN=C(N=C2C3=C(S1)C=CC(=C3)Cl)N |
Product Overview
9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine (CAS 254429-65-7), with molecular formula C12H10ClN3S and molecular weight 263.03 g/mol. IUPAC: 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine.
Chemical Property Profile of 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine
Property Insights of 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine
The XLogP value of 3.5459 indicates that 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine has 1 hydrogen bond donor(s) and 4 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 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine?
The CAS number of 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine is 254429-65-7.
What is the molecular formula of 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine?
The molecular formula of 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine is C12H10ClN3S.
What is the molecular weight of 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine?
The molecular weight of 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine is 263.03 g/mol.
Where can I buy 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine?
You can request a quote for 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.