ChemDiv1_009066
TL;DR: ChemDiv1_009066 (CAS 315711-70-7) is a chemical compound with molecular formula C20H21N3O3S2 and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,4-dimethyl-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]-1H-pyrrole-3-carboxylate
Also Known As: ChemDiv1_009066, SDCCGSBI-0660481.P001, AF-399/15335237, F1174-1953, methyl 2,4-dimethyl-5-{[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate
| Molecular Formula | C20H21N3O3S2 |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 4.19496 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.10245 |
| Heavy Atoms | 28 |
| Complexity | 1114.0319 |
Chemical Identifiers
| CAS Number | 315711-70-7 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC(=NC3=C2C4=C(S3)CCC4)C |
Product Overview
ChemDiv1_009066 (CAS 315711-70-7), with molecular formula C20H21N3O3S2 and molecular weight 415.10 g/mol. IUPAC: methyl 2,4-dimethyl-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]-1H-pyrrole-3-carboxylate.
Chemical Property Profile of ChemDiv1_009066
Property Insights of ChemDiv1_009066
The XLogP value of 4.19496 indicates that ChemDiv1_009066 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 ChemDiv1_009066. Following Lipinski's Rule of Five, ChemDiv1_009066 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 ChemDiv1_009066?
The CAS number of ChemDiv1_009066 is 315711-70-7.
What is the molecular formula of ChemDiv1_009066?
The molecular formula of ChemDiv1_009066 is C20H21N3O3S2.
What is the molecular weight of ChemDiv1_009066?
The molecular weight of ChemDiv1_009066 is 415.10 g/mol.
Where can I buy ChemDiv1_009066?
You can request a quote for ChemDiv1_009066 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009066?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009066 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.