BIM-0031857.P001
TL;DR: BIM-0031857.P001 (CAS 1005138-00-0) is a chemical compound with molecular formula C21H27NO5S and molecular weight 405.16098 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: BIM-0031857.P001, 3-({3-[(propan-2-yloxy)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid, 2-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid, 3-((3-(isopropoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid, 3-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
Technical Specifications
| Molecular Formula | C21H27NO5S |
| Molecular Weight | 405.16098 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.16098 Da |
| Heavy Atoms | 28 |
| Complexity | 653.0 |
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3C4CCC(C4)C3C(=O)O |
| InChIKey | RLSOPXMBRGJTNT-UHFFFAOYSA-N |
Chemical Property Profile of BIM-0031857.P001
Property Insights of BIM-0031857.P001
The XLogP value of 4.7 indicates that BIM-0031857.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0031857.P001. Following Lipinski's Rule of Five, BIM-0031857.P001 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
What is the CAS number of BIM-0031857.P001?
The CAS number of BIM-0031857.P001 is 1005138-00-0.
What is the molecular formula of BIM-0031857.P001?
The molecular formula of BIM-0031857.P001 is C21H27NO5S.
What is the molecular weight of BIM-0031857.P001?
The molecular weight of BIM-0031857.P001 is 405.16098 g/mol.
Where can I buy BIM-0031857.P001?
You can request a quote for BIM-0031857.P001 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BIM-0031857.P001?
Yes, CoreyChem provides custom synthesis services for BIM-0031857.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.