BAS 00486948
TL;DR: BAS 00486948 (CAS 329067-16-5) is a chemical compound with molecular formula C22H19N3O5S and molecular weight 437.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methoxyphenyl)-2-[(4-nitrobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
Also Known As: BAS 00486948, N-(4-methoxyphenyl)-2-[(4-nitrobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide, N-(4-METHOXYPHENYL)-2-(4-NITROBENZAMIDO)-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXAMIDE, N-(4-methoxyphenyl)-2-{[(4-nitrophenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide, N-(4-methoxyphenyl){2-[(4-nitrophenyl)carbonylamino](4,5,6-trihydrocyclopenta[ 1,2-b]thiophen-3-yl)}carboxamide
| Molecular Formula | C22H19N3O5S |
|---|---|
| Molecular Weight | 437.10 g/mol |
| LogP | 4.6582 |
| Topological Polar Surface Area | 110.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.10455 |
| Heavy Atoms | 31 |
| Complexity | 1153.1395 |
Chemical Identifiers
| CAS Number | 329067-16-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
BAS 00486948 (CAS 329067-16-5), with molecular formula C22H19N3O5S and molecular weight 437.10 g/mol. IUPAC: N-(4-methoxyphenyl)-2-[(4-nitrobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
Chemical Property Profile of BAS 00486948
Property Insights of BAS 00486948
The XLogP value of 4.6582 indicates that BAS 00486948 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 00486948. Following Lipinski's Rule of Five, BAS 00486948 has 2 hydrogen bond donor(s) and 6 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 BAS 00486948?
The CAS number of BAS 00486948 is 329067-16-5.
What is the molecular formula of BAS 00486948?
The molecular formula of BAS 00486948 is C22H19N3O5S.
What is the molecular weight of BAS 00486948?
The molecular weight of BAS 00486948 is 437.10 g/mol.
Where can I buy BAS 00486948?
You can request a quote for BAS 00486948 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486948?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486948 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.