BAS 00486736
TL;DR: BAS 00486736 (CAS 329068-42-0) is a chemical compound with molecular formula C24H23N3O4S and molecular weight 449.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylphenyl)-2-[(4-nitrobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: BAS 00486736, BIM-0025322.P001, N-(2-methylphenyl)-2-[(4-nitrobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, N-(2-methylphenyl)-2-{[(4-nitrophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, N-(2-methylphenyl){2-[(4-nitrophenyl)carbonylamino](4,5,6,7,8-pentahydrocycloh epta[1,2-b]thiophen-3-yl)}carboxamide
| Molecular Formula | C24H23N3O4S |
|---|---|
| Molecular Weight | 449.14 g/mol |
| LogP | 5.73822 |
| Topological Polar Surface Area | 101.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.14093 |
| Heavy Atoms | 32 |
| Complexity | 1184.4551 |
Chemical Identifiers
| CAS Number | 329068-42-0 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
BAS 00486736 (CAS 329068-42-0), with molecular formula C24H23N3O4S and molecular weight 449.14 g/mol. IUPAC: N-(2-methylphenyl)-2-[(4-nitrobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of BAS 00486736
Property Insights of BAS 00486736
The XLogP value of 5.73822 indicates that BAS 00486736 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.34 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00486736. Following Lipinski's Rule of Five, BAS 00486736 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 00486736?
The CAS number of BAS 00486736 is 329068-42-0.
What is the molecular formula of BAS 00486736?
The molecular formula of BAS 00486736 is C24H23N3O4S.
What is the molecular weight of BAS 00486736?
The molecular weight of BAS 00486736 is 449.14 g/mol.
Where can I buy BAS 00486736?
You can request a quote for BAS 00486736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486736?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.