8-Chlororugulovasine A
TL;DR: 8-Chlororugulovasine A (CAS 59787-45-0) is a chemical compound with molecular formula C16H15ClN2O2 and molecular weight 302.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5R)-8-chloro-3'-methyl-4-(methylamino)spiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one
Also Known As: 8-Chlororugulovasine A, Toxin B (Penicillium islandicum), 8-Chlororugulovasine B, (4S,5R)-8-chloro-3'-methyl-4-(methylamino)spiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one, (4S,5R)-8-chloro-3'-methyl-4-(methylamino)spiro[3,4-dihydro-
| Molecular Formula | C16H15ClN2O2 |
|---|---|
| Molecular Weight | 302.08 g/mol |
| LogP | 2.6638 |
| Topological Polar Surface Area | 54.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.0822 |
| Heavy Atoms | 21 |
| Complexity | 807.955 |
Chemical Identifiers
| CAS Number | 59787-45-0 |
|---|---|
| SMILES | CC1=C[C@@]2([C@H](CC3=CNC4=C(C=CC2=C34)Cl)NC)OC1=O |
Product Overview
8-Chlororugulovasine A (CAS 59787-45-0), with molecular formula C16H15ClN2O2 and molecular weight 302.08 g/mol. IUPAC: (4S,5R)-8-chloro-3'-methyl-4-(methylamino)spiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one.
Chemical Property Profile of 8-Chlororugulovasine A
Property Insights of 8-Chlororugulovasine A
The XLogP value of 2.6638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Chlororugulovasine A. With a topological polar surface area (TPSA) of 54.12 Ų, 8-Chlororugulovasine A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Chlororugulovasine A has 2 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 8-Chlororugulovasine A?
The CAS number of 8-Chlororugulovasine A is 59787-45-0.
What is the molecular formula of 8-Chlororugulovasine A?
The molecular formula of 8-Chlororugulovasine A is C16H15ClN2O2.
What is the molecular weight of 8-Chlororugulovasine A?
The molecular weight of 8-Chlororugulovasine A is 302.08 g/mol.
Where can I buy 8-Chlororugulovasine A?
You can request a quote for 8-Chlororugulovasine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chlororugulovasine A?
Yes, KEHONG BIO provides custom synthesis services for 8-Chlororugulovasine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.