ChemDiv2_004589
TL;DR: ChemDiv2_004589 (CAS 444908-85-4) is a chemical compound with molecular formula C23H18N2O5S and molecular weight 434.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-8-methoxy-2-oxochromene-3-carboxamide
Also Known As: ChemDiv2_004589, IDI1_003304, N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-8-methoxy-2-oxochromene-3-carboxamide, N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-8-methoxy-2-oxo-2H-chromene-3-carboxamide, N-[3-(aminocarbonyl)-5-methyl-4-phenylthien-2-yl]-8-methoxy-2-oxo-2H-chromene-3-carboxamide
| Molecular Formula | C23H18N2O5S |
|---|---|
| Molecular Weight | 434.09 g/mol |
| LogP | 4.18972 |
| Topological Polar Surface Area | 111.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.09363 |
| Heavy Atoms | 31 |
| Complexity | 1372.2434 |
Chemical Identifiers
| CAS Number | 444908-85-4 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O)C(=O)N)C4=CC=CC=C4 |
Product Overview
ChemDiv2_004589 (CAS 444908-85-4), with molecular formula C23H18N2O5S and molecular weight 434.09 g/mol. IUPAC: N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-8-methoxy-2-oxochromene-3-carboxamide.
Chemical Property Profile of ChemDiv2_004589
Property Insights of ChemDiv2_004589
The XLogP value of 4.18972 indicates that ChemDiv2_004589 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004589. Following Lipinski's Rule of Five, ChemDiv2_004589 has 2 hydrogen bond donor(s) and 6 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 ChemDiv2_004589?
The CAS number of ChemDiv2_004589 is 444908-85-4.
What is the molecular formula of ChemDiv2_004589?
The molecular formula of ChemDiv2_004589 is C23H18N2O5S.
What is the molecular weight of ChemDiv2_004589?
The molecular weight of ChemDiv2_004589 is 434.09 g/mol.
Where can I buy ChemDiv2_004589?
You can request a quote for ChemDiv2_004589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004589?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.