BAS 04055105
TL;DR: BAS 04055105 (CAS 489409-48-5) is a chemical compound with molecular formula C19H20N2O3S and molecular weight 356.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: BAS 04055105, 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-[[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid, 3-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
| Molecular Formula | C19H20N2O3S |
|---|---|
| Molecular Weight | 356.12 g/mol |
| LogP | 3.35008 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.11948 |
| Heavy Atoms | 25 |
| Complexity | 804.3266 |
Chemical Identifiers
| CAS Number | 489409-48-5 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3C4CC(C3C(=O)O)C=C4 |
Product Overview
BAS 04055105 (CAS 489409-48-5), with molecular formula C19H20N2O3S and molecular weight 356.12 g/mol. IUPAC: 3-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of BAS 04055105
Property Insights of BAS 04055105
The XLogP value of 3.35008 indicates that BAS 04055105 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04055105. Following Lipinski's Rule of Five, BAS 04055105 has 2 hydrogen bond donor(s) and 4 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 04055105?
The CAS number of BAS 04055105 is 489409-48-5.
What is the molecular formula of BAS 04055105?
The molecular formula of BAS 04055105 is C19H20N2O3S.
What is the molecular weight of BAS 04055105?
The molecular weight of BAS 04055105 is 356.12 g/mol.
Where can I buy BAS 04055105?
You can request a quote for BAS 04055105 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04055105?
Yes, KEHONG BIO provides custom synthesis services for BAS 04055105 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.