BAS 00486760
TL;DR: BAS 00486760 (CAS 301322-08-7) is a chemical compound with molecular formula C21H19BrN2O3S and molecular weight 458.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[(4-bromophenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]furan-2-carboxamide
Also Known As: BAS 00486760, N-[3-[(4-bromophenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]furan-2-carboxamide, N-(4-bromophenyl)[2-(2-furylcarbonylamino)(4,5,6,7,8-pentahydrocyclohepta[1,2- b]thiophen-3-yl)]carboxamide, N-{3-[(4-BROMOPHENYL)CARBAMOYL]-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHEN-2-YL}FURAN-2-CARBOXAMIDE, N-{3-[(4-bromophenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl}furan-2-carboxamide
| Molecular Formula | C21H19BrN2O3S |
|---|---|
| Molecular Weight | 458.03 g/mol |
| LogP | 5.8771 |
| Topological Polar Surface Area | 71.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.02997 |
| Heavy Atoms | 28 |
| Complexity | 993.5896 |
Chemical Identifiers
| CAS Number | 301322-08-7 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)NC(=O)C4=CC=CO4 |
Product Overview
BAS 00486760 (CAS 301322-08-7), with molecular formula C21H19BrN2O3S and molecular weight 458.03 g/mol. IUPAC: N-[3-[(4-bromophenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]furan-2-carboxamide.
Chemical Property Profile of BAS 00486760
Property Insights of BAS 00486760
The XLogP value of 5.8771 indicates that BAS 00486760 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.34 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00486760. Following Lipinski's Rule of Five, BAS 00486760 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00486760?
The CAS number of BAS 00486760 is 301322-08-7.
What is the molecular formula of BAS 00486760?
The molecular formula of BAS 00486760 is C21H19BrN2O3S.
What is the molecular weight of BAS 00486760?
The molecular weight of BAS 00486760 is 458.03 g/mol.
Where can I buy BAS 00486760?
You can request a quote for BAS 00486760 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486760?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486760 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.