BAS 11780880
TL;DR: BAS 11780880 (CAS 477556-27-7) is a chemical compound with molecular formula C19H20N2O4S and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: BAS 11780880, F0882-0553, N-{3-CARBAMOYL-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHEN-2-YL}-2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBOXAMIDE, N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide, N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
| Molecular Formula | C19H20N2O4S |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 3.1394 |
| Topological Polar Surface Area | 90.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.11438 |
| Heavy Atoms | 26 |
| Complexity | 874.66437 |
Chemical Identifiers
| CAS Number | 477556-27-7 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3=CC4=C(C=C3)OCCO4 |
Product Overview
BAS 11780880 (CAS 477556-27-7), with molecular formula C19H20N2O4S and molecular weight 372.11 g/mol. IUPAC: N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of BAS 11780880
Property Insights of BAS 11780880
The XLogP value of 3.1394 indicates that BAS 11780880 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.65 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11780880. Following Lipinski's Rule of Five, BAS 11780880 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 BAS 11780880?
The CAS number of BAS 11780880 is 477556-27-7.
What is the molecular formula of BAS 11780880?
The molecular formula of BAS 11780880 is C19H20N2O4S.
What is the molecular weight of BAS 11780880?
The molecular weight of BAS 11780880 is 372.11 g/mol.
Where can I buy BAS 11780880?
You can request a quote for BAS 11780880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11780880?
Yes, KEHONG BIO provides custom synthesis services for BAS 11780880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.