BIM-0017817.P001
TL;DR: BIM-0017817.P001 (CAS 352689-08-8) is a chemical compound with molecular formula C24H31NO6S and molecular weight 461.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3,4,5-triethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: BIM-0017817.P001, methyl 2-[(3,4,5-triethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-(3,4,5-triethoxybenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-[(3,4,5-triethoxybenzene)amido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-{[(3,4,5-triethoxyphenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C24H31NO6S |
|---|---|
| Molecular Weight | 461.19 g/mol |
| LogP | 5.252 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 461.1872 |
| Heavy Atoms | 32 |
| Complexity | 940.6344 |
Chemical Identifiers
| CAS Number | 352689-08-8 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC |
Product Overview
BIM-0017817.P001 (CAS 352689-08-8), with molecular formula C24H31NO6S and molecular weight 461.19 g/mol. IUPAC: methyl 2-[(3,4,5-triethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of BIM-0017817.P001
Property Insights of BIM-0017817.P001
The XLogP value of 5.252 indicates that BIM-0017817.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0017817.P001. Following Lipinski's Rule of Five, BIM-0017817.P001 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0017817.P001?
The CAS number of BIM-0017817.P001 is 352689-08-8.
What is the molecular formula of BIM-0017817.P001?
The molecular formula of BIM-0017817.P001 is C24H31NO6S.
What is the molecular weight of BIM-0017817.P001?
The molecular weight of BIM-0017817.P001 is 461.19 g/mol.
Where can I buy BIM-0017817.P001?
You can request a quote for BIM-0017817.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0017817.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0017817.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.