ChemDiv1_000909
TL;DR: ChemDiv1_000909 (CAS 310452-92-7) is a chemical compound with molecular formula C19H16BrN3O3S and molecular weight 445.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]chromene-3-carboxamide
Also Known As: ChemDiv1_000909, (2Z)-6-bromo-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-2H-chromene-3-carboxamide, 6-bromo-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]chromene-3-carboxamide
| Molecular Formula | C19H16BrN3O3S |
|---|---|
| Molecular Weight | 445.01 g/mol |
| LogP | 3.5658 |
| Topological Polar Surface Area | 111.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 445.00958 |
| Heavy Atoms | 27 |
| Complexity | 1162.9517 |
Chemical Identifiers
| CAS Number | 310452-92-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)N=C3C(=CC4=C(O3)C=CC(=C4)Br)C(=O)N)C(=O)N |
Product Overview
ChemDiv1_000909 (CAS 310452-92-7), with molecular formula C19H16BrN3O3S and molecular weight 445.01 g/mol. IUPAC: 6-bromo-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]chromene-3-carboxamide.
Chemical Property Profile of ChemDiv1_000909
Property Insights of ChemDiv1_000909
The XLogP value of 3.5658 indicates that ChemDiv1_000909 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000909. Following Lipinski's Rule of Five, ChemDiv1_000909 has 2 hydrogen bond donor(s) and 5 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_000909?
The CAS number of ChemDiv1_000909 is 310452-92-7.
What is the molecular formula of ChemDiv1_000909?
The molecular formula of ChemDiv1_000909 is C19H16BrN3O3S.
What is the molecular weight of ChemDiv1_000909?
The molecular weight of ChemDiv1_000909 is 445.01 g/mol.
Where can I buy ChemDiv1_000909?
You can request a quote for ChemDiv1_000909 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000909?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000909 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.