BAS 01835898
TL;DR: BAS 01835898 (CAS 332849-55-5) is a chemical compound with molecular formula C24H29N3O5S and molecular weight 471.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(azepan-1-yl)-5-nitrobenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 01835898, A2308/0097324, ethyl 2-({[2-(azepan-1-yl)-5-nitrophenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-(azepan-1-yl)-5-nitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(2-azaperhydroepinyl-5-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydrob enzo[b]thiophene-3-carboxylate
| Molecular Formula | C24H29N3O5S |
|---|---|
| Molecular Weight | 471.18 g/mol |
| LogP | 5.3445 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.1828 |
| Heavy Atoms | 33 |
| Complexity | 1056.6094 |
Chemical Identifiers
| CAS Number | 332849-55-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCCC4 |
Product Overview
BAS 01835898 (CAS 332849-55-5), with molecular formula C24H29N3O5S and molecular weight 471.18 g/mol. IUPAC: ethyl 2-[[2-(azepan-1-yl)-5-nitrobenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 01835898
Property Insights of BAS 01835898
The XLogP value of 5.3445 indicates that BAS 01835898 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01835898. Following Lipinski's Rule of Five, BAS 01835898 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 BAS 01835898?
The CAS number of BAS 01835898 is 332849-55-5.
What is the molecular formula of BAS 01835898?
The molecular formula of BAS 01835898 is C24H29N3O5S.
What is the molecular weight of BAS 01835898?
The molecular weight of BAS 01835898 is 471.18 g/mol.
Where can I buy BAS 01835898?
You can request a quote for BAS 01835898 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01835898?
Yes, KEHONG BIO provides custom synthesis services for BAS 01835898 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.