BIM-0045888.P001
TL;DR: BIM-0045888.P001 (CAS 473445-25-9) is a chemical compound with molecular formula C18H22N2O4S and molecular weight 362.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: BIM-0045888.P001, 6-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid, 3-cyclohexene-1-carboxylic acid, 6-[[[3-(aminocarbonyl)-4,5,6,7-tetrahydro-6-methylbenzo[b]thien-2-yl]amino]carbonyl]-, 6-((3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid, 6-([[3-(AMINOCARBONYL)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL]AMINO]CARBONYL)CYCLOHEX-3-ENE-1-CARBOXYLIC ACID
| Molecular Formula | C18H22N2O4S |
|---|---|
| Molecular Weight | 362.13 g/mol |
| LogP | 2.5773 |
| Topological Polar Surface Area | 109.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.13004 |
| Heavy Atoms | 25 |
| Complexity | 752.5024 |
Chemical Identifiers
| CAS Number | 473445-25-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3CC=CCC3C(=O)O |
Product Overview
BIM-0045888.P001 (CAS 473445-25-9), with molecular formula C18H22N2O4S and molecular weight 362.13 g/mol. IUPAC: 6-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of BIM-0045888.P001
Property Insights of BIM-0045888.P001
The XLogP value of 2.5773 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0045888.P001. The TPSA of 109.49 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0045888.P001. Following Lipinski's Rule of Five, BIM-0045888.P001 has 3 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 BIM-0045888.P001?
The CAS number of BIM-0045888.P001 is 473445-25-9.
What is the molecular formula of BIM-0045888.P001?
The molecular formula of BIM-0045888.P001 is C18H22N2O4S.
What is the molecular weight of BIM-0045888.P001?
The molecular weight of BIM-0045888.P001 is 362.13 g/mol.
Where can I buy BIM-0045888.P001?
You can request a quote for BIM-0045888.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0045888.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0045888.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.