5-23-02-00336 (Beilstein Handbook Reference)
TL;DR: 5-23-02-00336 (Beilstein Handbook Reference) (CAS 58323-07-2) is a chemical compound with molecular formula C28H35N3O3 and molecular weight 461.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-3-(4-benzylpiperazin-1-yl)propanamide
Also Known As: 5-23-02-00336 (Beilstein Handbook Reference), 1-Piperazinepropanamide, N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-4-(phenylmethyl)-, (4-alpha,4a-beta,9b-beta)-, 3-(4-Benzylpiperazin-1-yl)-N-(8,9b-dimethyl-3-oxo-1,2,3,4,4a,9b-hexahydrodibenzo[b,d]furan-4-yl)propanimidic acid, 3-(4-Benzylpiperazin-1-yl)-N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,3,4,4a,9b-hexahydrodibenzo[b,d]furan-4-yl]propanimidic acid, N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-3-(4-benzylpiperazin-1-yl)propanamide
| Molecular Formula | C28H35N3O3 |
|---|---|
| Molecular Weight | 461.27 g/mol |
| LogP | 3.06932 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.26785 |
| Heavy Atoms | 34 |
| Complexity | 1048.1168 |
Chemical Identifiers
| CAS Number | 58323-07-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)O[C@H]3[C@@]2(CCC(=O)[C@H]3NC(=O)CCN4CCN(CC4)CC5=CC=CC=C5)C |
Product Overview
5-23-02-00336 (Beilstein Handbook Reference) (CAS 58323-07-2), with molecular formula C28H35N3O3 and molecular weight 461.27 g/mol. IUPAC: N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-3-(4-benzylpiperazin-1-yl)propanamide.
Chemical Property Profile of 5-23-02-00336 (Beilstein Handbook Reference)
Property Insights of 5-23-02-00336 (Beilstein Handbook Reference)
The XLogP value of 3.06932 indicates that 5-23-02-00336 (Beilstein Handbook Reference) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-23-02-00336 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-23-02-00336 (Beilstein Handbook Reference) 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 5-23-02-00336 (Beilstein Handbook Reference)?
The CAS number of 5-23-02-00336 (Beilstein Handbook Reference) is 58323-07-2.
What is the molecular formula of 5-23-02-00336 (Beilstein Handbook Reference)?
The molecular formula of 5-23-02-00336 (Beilstein Handbook Reference) is C28H35N3O3.
What is the molecular weight of 5-23-02-00336 (Beilstein Handbook Reference)?
The molecular weight of 5-23-02-00336 (Beilstein Handbook Reference) is 461.27 g/mol.
Where can I buy 5-23-02-00336 (Beilstein Handbook Reference)?
You can request a quote for 5-23-02-00336 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-23-02-00336 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-23-02-00336 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.