Nesodine
TL;DR: Nesodine (CAS 34628-60-9) is a chemical compound with molecular formula C26H29NO5 and molecular weight 435.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,13Z,17S,19S)-9-hydroxy-5,6-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26),13-heptaen-15-one
Also Known As: Nesodine, 2'-Hydroxy-5'',6''-dimethoxylythran-12-one, Lythran-12-one, 2'-hydroxy-5'',6''-dimethoxy-, 20H-6,20-Methano-11,15-metheno-1H,8H-benzo[g]pyrido[2,1-d][1,5]oxaazacyclohexadecin-8-one, 2,3,4,4a,5,6-hexahydro-14-hydroxy-16,17-dimethoxy-, (4aS,6S,20S)-
| Molecular Formula | C26H29NO5 |
|---|---|
| Molecular Weight | 435.20 g/mol |
| LogP | 4.7044 |
| Topological Polar Surface Area | 68.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 435.20456 |
| Heavy Atoms | 32 |
| Complexity | 1062.423 |
Chemical Identifiers
| CAS Number | 34628-60-9 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)[C@@H]3C[C@H](C[C@H]4N3CCCC4)OC(=O)/C=C\C5=CC2=C(C=C5)O)OC |
Product Overview
Nesodine (CAS 34628-60-9), with molecular formula C26H29NO5 and molecular weight 435.20 g/mol. IUPAC: (1S,13Z,17S,19S)-9-hydroxy-5,6-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26),13-heptaen-15-one.
Chemical Property Profile of Nesodine
Property Insights of Nesodine
The XLogP value of 4.7044 indicates that Nesodine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Nesodine. Following Lipinski's Rule of Five, Nesodine has 1 hydrogen bond donor(s) and 6 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 Nesodine?
The CAS number of Nesodine is 34628-60-9.
What is the molecular formula of Nesodine?
The molecular formula of Nesodine is C26H29NO5.
What is the molecular weight of Nesodine?
The molecular weight of Nesodine is 435.20 g/mol.
Where can I buy Nesodine?
You can request a quote for Nesodine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nesodine?
Yes, KEHONG BIO provides custom synthesis services for Nesodine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.