BAS 00486713
TL;DR: BAS 00486713 (CAS 331718-80-0) is a chemical compound with molecular formula C19H30N2O2S and molecular weight 350.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(propanoylamino)-N,N-dipropyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: BAS 00486713, 2-Propionamido-N,N-dipropyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-Propionylamino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid dipropylamide, 2-(propanoylamino)-N,N-dipropyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-Propionylamino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid
| Molecular Formula | C19H30N2O2S |
|---|---|
| Molecular Weight | 350.20 g/mol |
| LogP | 4.6277 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 350.2028 |
| Heavy Atoms | 24 |
| Complexity | 574.16705 |
Chemical Identifiers
| CAS Number | 331718-80-0 |
|---|---|
| SMILES | CCCN(CCC)C(=O)C1=C(SC2=C1CCCCC2)NC(=O)CC |
Product Overview
BAS 00486713 (CAS 331718-80-0), with molecular formula C19H30N2O2S and molecular weight 350.20 g/mol. IUPAC: 2-(propanoylamino)-N,N-dipropyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of BAS 00486713
Property Insights of BAS 00486713
The XLogP value of 4.6277 indicates that BAS 00486713 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, BAS 00486713 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00486713 has 1 hydrogen bond donor(s) and 3 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 00486713?
The CAS number of BAS 00486713 is 331718-80-0.
What is the molecular formula of BAS 00486713?
The molecular formula of BAS 00486713 is C19H30N2O2S.
What is the molecular weight of BAS 00486713?
The molecular weight of BAS 00486713 is 350.20 g/mol.
Where can I buy BAS 00486713?
You can request a quote for BAS 00486713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486713?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.