C22H25N3O3S2
TL;DR: C22H25N3O3S2 (CAS 304683-90-7) is a chemical compound with molecular formula C22H25N3O3S2 and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dimethyl-5-[2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate
Also Known As: F0307-0339, ethyl 2,4-dimethyl-5-[2-({5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-yl}sulfanyl)acetyl]-1H-pyrrole-3-carboxylate, ethyl 2,4-dimethyl-5-[2-(2-methyl(5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]py rimidin-4-ylthio))acetyl]pyrrole-3-carboxylate, ethyl 2,4-dimethyl-5-(2-((2-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetyl)-1H-pyrrole-3-carboxylate, ethyl 2,4-dimethyl-5-[2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate
| Molecular Formula | C22H25N3O3S2 |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | 4.97516 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.13373 |
| Heavy Atoms | 30 |
| Complexity | 1146.6454 |
Chemical Identifiers
| CAS Number | 304683-90-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC(=NC3=C2C4=C(S3)CCCC4)C)C |
Product Overview
C22H25N3O3S2 (CAS 304683-90-7), with molecular formula C22H25N3O3S2 and molecular weight 443.13 g/mol. IUPAC: ethyl 2,4-dimethyl-5-[2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate.
Chemical Property Profile of C22H25N3O3S2
Property Insights of C22H25N3O3S2
The XLogP value of 4.97516 indicates that C22H25N3O3S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H25N3O3S2. Following Lipinski's Rule of Five, C22H25N3O3S2 has 1 hydrogen bond donor(s) and 7 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 C22H25N3O3S2?
The CAS number of C22H25N3O3S2 is 304683-90-7.
What is the molecular formula of C22H25N3O3S2?
The molecular formula of C22H25N3O3S2 is C22H25N3O3S2.
What is the molecular weight of C22H25N3O3S2?
The molecular weight of C22H25N3O3S2 is 443.13 g/mol.
Where can I buy C22H25N3O3S2?
You can request a quote for C22H25N3O3S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H25N3O3S2?
Yes, KEHONG BIO provides custom synthesis services for C22H25N3O3S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.