BIM-0049011.P001
TL;DR: BIM-0049011.P001 (CAS 419557-87-2) is a chemical compound with molecular formula C22H27NO4S and molecular weight 401.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: BIM-0049011.P001, isopropyl 2-{[(4-methoxyphenyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, propan-2-yl 2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, isopropyl 2-(2-(4-methoxyphenyl)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, propan-2-yl 2-[2-(4-methoxyphenyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C22H27NO4S |
|---|---|
| Molecular Weight | 401.17 g/mol |
| LogP | 4.772 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.16608 |
| Heavy Atoms | 28 |
| Complexity | 838.9668 |
Chemical Identifiers
| CAS Number | 419557-87-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CC3=CC=C(C=C3)OC |
Product Overview
BIM-0049011.P001 (CAS 419557-87-2), with molecular formula C22H27NO4S and molecular weight 401.17 g/mol. IUPAC: propan-2-yl 2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of BIM-0049011.P001
Property Insights of BIM-0049011.P001
The XLogP value of 4.772 indicates that BIM-0049011.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0049011.P001. Following Lipinski's Rule of Five, BIM-0049011.P001 has 1 hydrogen bond donor(s) and 5 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-0049011.P001?
The CAS number of BIM-0049011.P001 is 419557-87-2.
What is the molecular formula of BIM-0049011.P001?
The molecular formula of BIM-0049011.P001 is C22H27NO4S.
What is the molecular weight of BIM-0049011.P001?
The molecular weight of BIM-0049011.P001 is 401.17 g/mol.
Where can I buy BIM-0049011.P001?
You can request a quote for BIM-0049011.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0049011.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0049011.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.