BIM-0017861.P001
TL;DR: BIM-0017861.P001 (CAS 352687-88-8) is a chemical compound with molecular formula C20H22N2O5S and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-methyl-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Also Known As: BIM-0017861.P001, methyl 2-[(3-methyl-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, methyl 2-({4-nitro-3-methylbenzoyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, methyl 2-(3-methyl-4-nitrobenzamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, methyl 2-{[(3-methyl-4-nitrophenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
| Molecular Formula | C20H22N2O5S |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 4.66262 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.12494 |
| Heavy Atoms | 28 |
| Complexity | 934.91754 |
Chemical Identifiers
| CAS Number | 352687-88-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC)[N+](=O)[O-] |
Product Overview
BIM-0017861.P001 (CAS 352687-88-8), with molecular formula C20H22N2O5S and molecular weight 402.12 g/mol. IUPAC: methyl 2-[(3-methyl-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate.
Chemical Property Profile of BIM-0017861.P001
Property Insights of BIM-0017861.P001
The XLogP value of 4.66262 indicates that BIM-0017861.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0017861.P001. Following Lipinski's Rule of Five, BIM-0017861.P001 has 1 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 BIM-0017861.P001?
The CAS number of BIM-0017861.P001 is 352687-88-8.
What is the molecular formula of BIM-0017861.P001?
The molecular formula of BIM-0017861.P001 is C20H22N2O5S.
What is the molecular weight of BIM-0017861.P001?
The molecular weight of BIM-0017861.P001 is 402.12 g/mol.
Where can I buy BIM-0017861.P001?
You can request a quote for BIM-0017861.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0017861.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0017861.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.