ChemDiv1_009121
TL;DR: ChemDiv1_009121 (CAS 315708-46-4) is a chemical compound with molecular formula C22H23N3O5S3 and molecular weight 505.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 2-O-methyl 3-methyl-5-[[2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate
Also Known As: ChemDiv1_009121, AF-399/15335073, 4-ethyl 2-methyl 3-methyl-5-(2-((2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamido)thiophene-2,4-dicarboxylate, 4-Ethyl 2-methyl 5-[[2-[(6,7-dihydro-2-methyl-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-3-methyl-2,4-thiophenedicarboxylate, F1174-0202
| Molecular Formula | C22H23N3O5S3 |
|---|---|
| Molecular Weight | 505.08 g/mol |
| LogP | 4.55244 |
| Topological Polar Surface Area | 107.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.08 |
| Heavy Atoms | 33 |
| Complexity | 1264.1707 |
Chemical Identifiers
| CAS Number | 315708-46-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CSC2=NC(=NC3=C2C4=C(S3)CCC4)C |
Product Overview
ChemDiv1_009121 (CAS 315708-46-4), with molecular formula C22H23N3O5S3 and molecular weight 505.08 g/mol. IUPAC: 4-O-ethyl 2-O-methyl 3-methyl-5-[[2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of ChemDiv1_009121
Property Insights of ChemDiv1_009121
The XLogP value of 4.55244 indicates that ChemDiv1_009121 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009121. Following Lipinski's Rule of Five, ChemDiv1_009121 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_009121?
The CAS number of ChemDiv1_009121 is 315708-46-4.
What is the molecular formula of ChemDiv1_009121?
The molecular formula of ChemDiv1_009121 is C22H23N3O5S3.
What is the molecular weight of ChemDiv1_009121?
The molecular weight of ChemDiv1_009121 is 505.08 g/mol.
Where can I buy ChemDiv1_009121?
You can request a quote for ChemDiv1_009121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009121?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.