BAS 00486949
TL;DR: BAS 00486949 (CAS 313397-48-7) is a chemical compound with molecular formula C23H21N3O5S and molecular weight 451.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethoxyphenyl)-2-[(4-nitrobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
Also Known As: BAS 00486949, BIM-0025257.P001, N-(4-ethoxyphenyl)-2-[(4-nitrobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide, N-(4-ethoxyphenyl)-2-{[(4-nitrophenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide, N-(4-ethoxyphenyl){2-[(4-nitrophenyl)carbonylamino](4,5,6-trihydrocyclopenta[1 ,2-b]thiophen-3-yl)}carboxamide
| Molecular Formula | C23H21N3O5S |
|---|---|
| Molecular Weight | 451.12 g/mol |
| LogP | 5.0483 |
| Topological Polar Surface Area | 110.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.12018 |
| Heavy Atoms | 32 |
| Complexity | 1169.5925 |
Chemical Identifiers
| CAS Number | 313397-48-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
BAS 00486949 (CAS 313397-48-7), with molecular formula C23H21N3O5S and molecular weight 451.12 g/mol. IUPAC: N-(4-ethoxyphenyl)-2-[(4-nitrobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
Chemical Property Profile of BAS 00486949
Property Insights of BAS 00486949
The XLogP value of 5.0483 indicates that BAS 00486949 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00486949. Following Lipinski's Rule of Five, BAS 00486949 has 2 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 BAS 00486949?
The CAS number of BAS 00486949 is 313397-48-7.
What is the molecular formula of BAS 00486949?
The molecular formula of BAS 00486949 is C23H21N3O5S.
What is the molecular weight of BAS 00486949?
The molecular weight of BAS 00486949 is 451.12 g/mol.
Where can I buy BAS 00486949?
You can request a quote for BAS 00486949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486949?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.