8-Chlororugulovasine B
TL;DR: 8-Chlororugulovasine B (CAS 6632-95-7) 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.
(4R,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 B, KST-1A7268, KST-1A7269, TOXIN A (PENICILLIUM ISLANDICUM), (4r,5r)-8-chloro-4'-methyl-4-(methylamino)-3,4-dihydro-1h,5'h-spiro[benzo[cd]indole-5,2'-furan]-5'-one
| Molecular Formula | C16H15ClN2O2 |
|---|---|
| Molecular Weight | 302.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.0822 |
| Heavy Atoms | 21 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 6632-95-7 |
|---|---|
| SMILES | CC1=C[C@@]2([C@@H](CC3=CNC4=C(C=CC2=C34)Cl)NC)OC1=O |
| InChIKey | SDYOUVJWVNBXPX-MLGOLLRUSA-N |
Product Overview
8-Chlororugulovasine B (CAS 6632-95-7), with molecular formula C16H15ClN2O2 and molecular weight 302.08 g/mol. IUPAC: (4R,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 B
Property Insights of 8-Chlororugulovasine B
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Chlororugulovasine B. With a topological polar surface area (TPSA) of 54.1 Ų, 8-Chlororugulovasine B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Chlororugulovasine B 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 B?
The CAS number of 8-Chlororugulovasine B is 6632-95-7.
What is the molecular formula of 8-Chlororugulovasine B?
The molecular formula of 8-Chlororugulovasine B is C16H15ClN2O2.
What is the molecular weight of 8-Chlororugulovasine B?
The molecular weight of 8-Chlororugulovasine B is 302.08 g/mol.
Where can I buy 8-Chlororugulovasine B?
You can request a quote for 8-Chlororugulovasine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chlororugulovasine B?
Yes, KEHONG BIO provides custom synthesis services for 8-Chlororugulovasine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.