BAS 00486761
TL;DR: BAS 00486761 (CAS 329068-36-2) is a chemical compound with molecular formula C23H21BrN2O2S and molecular weight 468.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzamido-N-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: BAS 00486761, 2-benzamido-N-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-(benzoylamino)-N-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, N-(4-bromophenyl)-2-[(phenylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, N-(4-bromophenyl)[2-(phenylcarbonylamino)(4,5,6,7,8-pentahydrocyclohepta[1,2-b ]thiophen-3-yl)]carboxamide
| Molecular Formula | C23H21BrN2O2S |
|---|---|
| Molecular Weight | 468.05 g/mol |
| LogP | 6.2841 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.05072 |
| Heavy Atoms | 29 |
| Complexity | 1029.0364 |
Chemical Identifiers
| CAS Number | 329068-36-2 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)NC(=O)C4=CC=CC=C4 |
Product Overview
BAS 00486761 (CAS 329068-36-2), with molecular formula C23H21BrN2O2S and molecular weight 468.05 g/mol. IUPAC: 2-benzamido-N-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of BAS 00486761
Property Insights of BAS 00486761
The XLogP value of 6.2841 indicates that BAS 00486761 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, BAS 00486761 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00486761 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00486761?
The CAS number of BAS 00486761 is 329068-36-2.
What is the molecular formula of BAS 00486761?
The molecular formula of BAS 00486761 is C23H21BrN2O2S.
What is the molecular weight of BAS 00486761?
The molecular weight of BAS 00486761 is 468.05 g/mol.
Where can I buy BAS 00486761?
You can request a quote for BAS 00486761 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486761?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486761 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.