Didesmethylrocaglamide
TL;DR: Didesmethylrocaglamide (CAS 177262-30-5) is a chemical compound with molecular formula C27H27NO7 and molecular weight 477.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
Also Known As: Didesmethylrocaglamide, RocB, Didesmethylrocaglamide?, NCI60_037765, (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
| Molecular Formula | C27H27NO7 |
|---|---|
| Molecular Weight | 477.18 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.17874 |
| Heavy Atoms | 35 |
| Complexity | 767.0 |
Chemical Identifiers
| CAS Number | 177262-30-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)[C@]23[C@@H]([C@H]([C@H]([C@]2(C4=C(O3)C=C(C=C4OC)OC)O)O)C(=O)N)C5=CC=CC=C5 |
| InChIKey | RMNPQEWLGQURNX-PXIJUOARSA-N |
Product Overview
Didesmethylrocaglamide (CAS 177262-30-5), with molecular formula C27H27NO7 and molecular weight 477.18 g/mol. IUPAC: (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide.
Chemical Property Profile of Didesmethylrocaglamide
Property Insights of Didesmethylrocaglamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Didesmethylrocaglamide. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Didesmethylrocaglamide. Following Lipinski's Rule of Five, Didesmethylrocaglamide has 3 hydrogen bond donor(s) and 7 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 Didesmethylrocaglamide?
The CAS number of Didesmethylrocaglamide is 177262-30-5.
What is the molecular formula of Didesmethylrocaglamide?
The molecular formula of Didesmethylrocaglamide is C27H27NO7.
What is the molecular weight of Didesmethylrocaglamide?
The molecular weight of Didesmethylrocaglamide is 477.18 g/mol.
Where can I buy Didesmethylrocaglamide?
You can request a quote for Didesmethylrocaglamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Didesmethylrocaglamide?
Yes, KEHONG BIO provides custom synthesis services for Didesmethylrocaglamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.