聚氨丙基双胍
TL;DR: 聚氨丙基双胍 (CAS 133029-32-0) is a chemical compound with molecular formula C26H20N2O4 and molecular weight 424.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
聚氨丙基双胍
20-benzoyl-19-methoxy-5,7-dioxa-20-azapentacyclo[10.6.2.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-12-carbonitrile
Also Known As: POLYAMINOPROPYL BIGUANIDE, benzoyl(methoxy)[?]carbonitrile, NCI60_009033, 10,5-(Iminomethano)-10H-benzo[4',5']cyclohepta[1',2':4,5]benzo[1,2-d]-1,3-dioxole-10-carbonitrile, 13-benzoyl-5,11-dihydro-14-methoxy-
| Molecular Formula | C26H20N2O4 |
|---|---|
| Molecular Weight | 424.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 424.1423 |
| Heavy Atoms | 32 |
| Complexity | 788.0 |
Chemical Identifiers
| CAS Number | 133029-32-0 |
|---|---|
| SMILES | COC1C2C3=CC=CC=C3C(N1C(=O)C4=CC=CC=C4)(CC5=CC6=C(C=C25)OCO6)C#N |
| InChIKey | KHDMSASMKBVHGF-UHFFFAOYSA-N |
Product Overview
聚氨丙基双胍 (CAS 133029-32-0), with molecular formula C26H20N2O4 and molecular weight 424.14 g/mol. IUPAC: 20-benzoyl-19-methoxy-5,7-dioxa-20-azapentacyclo[10.6.2.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-12-carbonitrile.
Chemical Property Profile of 聚氨丙基双胍
Property Insights of 聚氨丙基双胍
The XLogP value of 4.0 indicates that 聚氨丙基双胍 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 聚氨丙基双胍. Following Lipinski's Rule of Five, 聚氨丙基双胍 has 0 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 聚氨丙基双胍?
The CAS number of 聚氨丙基双胍 is 133029-32-0.
What is the molecular formula of 聚氨丙基双胍?
The molecular formula of 聚氨丙基双胍 is C26H20N2O4.
What is the molecular weight of 聚氨丙基双胍?
The molecular weight of 聚氨丙基双胍 is 424.14 g/mol.
Where can I buy 聚氨丙基双胍?
You can request a quote for 聚氨丙基双胍 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 聚氨丙基双胍?
Yes, KEHONG BIO provides custom synthesis services for 聚氨丙基双胍 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.