C258-0645
TL;DR: C258-0645 (CAS 866345-97-3) is a chemical compound with molecular formula C25H24N2O2S and molecular weight 416.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,5-dimethylphenyl)methyl]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
Also Known As: C258-0645, F1602-0583, 1-(2,5-dimethylbenzyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, 1-[(2,5-dimethylphenyl)methyl]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione, 6-[(2,5-dimethylphenyl)methyl]-4-phenyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-3,5-dione
| Molecular Formula | C25H24N2O2S |
|---|---|
| Molecular Weight | 416.16 g/mol |
| LogP | 4.75784 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.15585 |
| Heavy Atoms | 30 |
| Complexity | 1376.5289 |
Chemical Identifiers
| CAS Number | 866345-97-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CN2C3=C(C4=C(S3)CCCC4)C(=O)N(C2=O)C5=CC=CC=C5 |
Product Overview
C258-0645 (CAS 866345-97-3), with molecular formula C25H24N2O2S and molecular weight 416.16 g/mol. IUPAC: 1-[(2,5-dimethylphenyl)methyl]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione.
Chemical Property Profile of C258-0645
Property Insights of C258-0645
The XLogP value of 4.75784 indicates that C258-0645 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.0 Ų, C258-0645 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C258-0645 has 0 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 C258-0645?
The CAS number of C258-0645 is 866345-97-3.
What is the molecular formula of C258-0645?
The molecular formula of C258-0645 is C25H24N2O2S.
What is the molecular weight of C258-0645?
The molecular weight of C258-0645 is 416.16 g/mol.
Where can I buy C258-0645?
You can request a quote for C258-0645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C258-0645?
Yes, KEHONG BIO provides custom synthesis services for C258-0645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.