cis-(-)-Benafentrine
TL;DR: cis-(-)-Benafentrine (CAS 35135-01-4) is a chemical compound with molecular formula C23H27N3O3 and molecular weight 393.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(4aR,10bS)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]acetamide
Also Known As: Benafentrine, cis-(-)-Benafentrine, Benafentrine dimaleate, (4aR)-6-[4-(Acetylamino)phenyl]-1,2,3,4,4aalpha,10balpha-hexahydro-8,9-dimethoxy-2-methylbenzo[c][1,6]naphthyridine, N-[4-[(4aR,10bS)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]acetamide
| Molecular Formula | C23H27N3O3 |
|---|---|
| Molecular Weight | 393.21 g/mol |
| LogP | 3.3009 |
| Topological Polar Surface Area | 63.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.20523 |
| Heavy Atoms | 29 |
| Complexity | 952.5856 |
Chemical Identifiers
| CAS Number | 35135-01-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C2=N[C@@H]3CCN(C[C@@H]3C4=CC(=C(C=C42)OC)OC)C |
Product Overview
cis-(-)-Benafentrine (CAS 35135-01-4), with molecular formula C23H27N3O3 and molecular weight 393.21 g/mol. IUPAC: N-[4-[(4aR,10bS)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]acetamide.
Chemical Property Profile of cis-(-)-Benafentrine
Property Insights of cis-(-)-Benafentrine
The XLogP value of 3.3009 indicates that cis-(-)-Benafentrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.16 Ų falls within the moderate polarity range, balancing permeability and solubility for cis-(-)-Benafentrine. Following Lipinski's Rule of Five, cis-(-)-Benafentrine has 1 hydrogen bond donor(s) and 5 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 cis-(-)-Benafentrine?
The CAS number of cis-(-)-Benafentrine is 35135-01-4.
What is the molecular formula of cis-(-)-Benafentrine?
The molecular formula of cis-(-)-Benafentrine is C23H27N3O3.
What is the molecular weight of cis-(-)-Benafentrine?
The molecular weight of cis-(-)-Benafentrine is 393.21 g/mol.
Where can I buy cis-(-)-Benafentrine?
You can request a quote for cis-(-)-Benafentrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-(-)-Benafentrine?
Yes, KEHONG BIO provides custom synthesis services for cis-(-)-Benafentrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.