BIM-0017753.P001
TL;DR: BIM-0017753.P001 (CAS 6106-21-4) is a chemical compound with molecular formula C19H19ClN2O5S and molecular weight 422.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-chloro-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Also Known As: BIM-0017753.P001, methyl 2-[(2-chloro-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
| Molecular Formula | C19H19ClN2O5S |
|---|---|
| Molecular Weight | 422.07 g/mol |
| LogP | 5.0076 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.0703 |
| Heavy Atoms | 28 |
| Complexity | 940.64545 |
Chemical Identifiers
| CAS Number | 6106-21-4 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
BIM-0017753.P001 (CAS 6106-21-4), with molecular formula C19H19ClN2O5S and molecular weight 422.07 g/mol. IUPAC: methyl 2-[(2-chloro-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate.
Chemical Property Profile of BIM-0017753.P001
Property Insights of BIM-0017753.P001
The XLogP value of 5.0076 indicates that BIM-0017753.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-0017753.P001. Following Lipinski's Rule of Five, BIM-0017753.P001 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0017753.P001?
The CAS number of BIM-0017753.P001 is 6106-21-4.
What is the molecular formula of BIM-0017753.P001?
The molecular formula of BIM-0017753.P001 is C19H19ClN2O5S.
What is the molecular weight of BIM-0017753.P001?
The molecular weight of BIM-0017753.P001 is 422.07 g/mol.
Where can I buy BIM-0017753.P001?
You can request a quote for BIM-0017753.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0017753.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0017753.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.