BAS 00486844
TL;DR: BAS 00486844 (CAS 328261-63-8) is a chemical compound with molecular formula C22H22N2O3S2 and molecular weight 426.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methoxyphenyl)-2-(thiophene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: BAS 00486844, N-(4-methoxyphenyl)-2-[(2-thienylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, N-(4-methoxyphenyl)-2-(thiophene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, N-(4-methoxyphenyl)-2-[(thiophen-2-ylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, N-(4-methoxyphenyl)[2-(2-thienylcarbonylamino)(4,5,6,7,8-pentahydrocyclohepta[ 1,2-b]thiophen-3-yl)]carboxamide
| Molecular Formula | C22H22N2O3S2 |
|---|---|
| Molecular Weight | 426.11 g/mol |
| LogP | 5.5917 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.10718 |
| Heavy Atoms | 29 |
| Complexity | 1007.6143 |
Chemical Identifiers
| CAS Number | 328261-63-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)C4=CC=CS4 |
Product Overview
BAS 00486844 (CAS 328261-63-8), with molecular formula C22H22N2O3S2 and molecular weight 426.11 g/mol. IUPAC: N-(4-methoxyphenyl)-2-(thiophene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of BAS 00486844
Property Insights of BAS 00486844
The XLogP value of 5.5917 indicates that BAS 00486844 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00486844. Following Lipinski's Rule of Five, BAS 00486844 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00486844?
The CAS number of BAS 00486844 is 328261-63-8.
What is the molecular formula of BAS 00486844?
The molecular formula of BAS 00486844 is C22H22N2O3S2.
What is the molecular weight of BAS 00486844?
The molecular weight of BAS 00486844 is 426.11 g/mol.
Where can I buy BAS 00486844?
You can request a quote for BAS 00486844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486844?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.