ChemDiv1_015299
TL;DR: ChemDiv1_015299 (CAS 315710-31-7) is a chemical compound with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]benzene-1,3-dicarboxylate
Also Known As: ChemDiv1_015299, AB00166291-02, AF-399/15335302, 1,3-dimethyl 5-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}amino)benzene-1,3-dicarboxylate, dimethyl 5-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)amino]isophthalate
| Molecular Formula | C20H19N3O4S |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 3.80522 |
| Topological Polar Surface Area | 90.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.10962 |
| Heavy Atoms | 28 |
| Complexity | 1072.2642 |
Chemical Identifiers
| CAS Number | 315710-31-7 |
|---|---|
| SMILES | CC1=NC(=C2C3=C(CCC3)SC2=N1)NC4=CC(=CC(=C4)C(=O)OC)C(=O)OC |
Product Overview
ChemDiv1_015299 (CAS 315710-31-7), with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol. IUPAC: dimethyl 5-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of ChemDiv1_015299
Property Insights of ChemDiv1_015299
The XLogP value of 3.80522 indicates that ChemDiv1_015299 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.41 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_015299. Following Lipinski's Rule of Five, ChemDiv1_015299 has 1 hydrogen bond donor(s) and 8 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_015299?
The CAS number of ChemDiv1_015299 is 315710-31-7.
What is the molecular formula of ChemDiv1_015299?
The molecular formula of ChemDiv1_015299 is C20H19N3O4S.
What is the molecular weight of ChemDiv1_015299?
The molecular weight of ChemDiv1_015299 is 397.11 g/mol.
Where can I buy ChemDiv1_015299?
You can request a quote for ChemDiv1_015299 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_015299?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_015299 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.