BAS 07004887
TL;DR: BAS 07004887 (CAS 477494-33-0) is a chemical compound with molecular formula C15H15N3O5S and molecular weight 349.07 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)-5-nitrofuran-2-carboxamide
Also Known As: BAS 07004887, AB00685218-01, F0806-0391, N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-nitrofuran-2-carboxamide, N-{3-CARBAMOYL-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHEN-2-YL}-5-NITROFURAN-2-CARBOXAMIDE
| Molecular Formula | C15H15N3O5S |
|---|---|
| Molecular Weight | 349.07 g/mol |
| LogP | 2.8694 |
| Topological Polar Surface Area | 128.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.07324 |
| Heavy Atoms | 24 |
| Complexity | 823.18634 |
Chemical Identifiers
| CAS Number | 477494-33-0 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3=CC=C(O3)[N+](=O)[O-] |
Product Overview
BAS 07004887 (CAS 477494-33-0), with molecular formula C15H15N3O5S and molecular weight 349.07 g/mol. IUPAC: N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-nitrofuran-2-carboxamide.
Chemical Property Profile of BAS 07004887
Property Insights of BAS 07004887
The XLogP value of 2.8694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07004887. The TPSA of 128.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07004887. Following Lipinski's Rule of Five, BAS 07004887 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 BAS 07004887?
The CAS number of BAS 07004887 is 477494-33-0.
What is the molecular formula of BAS 07004887?
The molecular formula of BAS 07004887 is C15H15N3O5S.
What is the molecular weight of BAS 07004887?
The molecular weight of BAS 07004887 is 349.07 g/mol.
Where can I buy BAS 07004887?
You can request a quote for BAS 07004887 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07004887?
Yes, KEHONG BIO provides custom synthesis services for BAS 07004887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.