Rollinecin B
TL;DR: Rollinecin B (CAS 178034-07-6) is a chemical compound with molecular formula C37H68O7 and molecular weight 624.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-methyl-4-[(2R,12S,15R)-2,12,15-trihydroxy-15-[(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2H-furan-5-one
Also Known As: Rollinecin B, Rollinecin A, (2S)-2-methyl-4-[(2R,12S,15R)-2,12,15-trihydroxy-15-[(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2H-furan-5-one, 2(5H)-Furanone, 5-methyl-3-((2R,12S,15R)-2,12,15-trihydroxy-15-((2R,5R)-tetrahydro-5-((1S)-1-hydroxytridecyl)-2-furanyl)pentadecyl)-, (5S)-, 2(5H)-Furanone, 5-methyl-3-(2,12,15-trihydroxy-15-(tetrahydro-5-(1-hydroxytridecyl)-2-furanyl)pentadecyl)-, (2R-(2alpha(1(S*),2R*,12S*,15R*),5beta(S*)))-
| Molecular Formula | C37H68O7 |
|---|---|
| Molecular Weight | 624.50 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 28 |
| Exact Mass | 624.4965 |
| Heavy Atoms | 44 |
| Complexity | 756.0 |
Chemical Identifiers
| CAS Number | 178034-07-6 |
|---|---|
| SMILES | CCCCCCCCCCCC[C@@H]([C@H]1CCC(O1)[C@@H](CC[C@H](CCCCCCCCC[C@H](CC2=C[C@@H](OC2=O)C)O)O)O)O |
| InChIKey | XNZJLZFJXAKNCP-XIDQSENKSA-N |
Product Overview
Rollinecin B (CAS 178034-07-6), with molecular formula C37H68O7 and molecular weight 624.50 g/mol. IUPAC: (2S)-2-methyl-4-[(2R,12S,15R)-2,12,15-trihydroxy-15-[(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2H-furan-5-one.
Chemical Property Profile of Rollinecin B
Property Insights of Rollinecin B
The XLogP value of 9.9 indicates that Rollinecin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Rollinecin B. Following Lipinski's Rule of Five, Rollinecin B has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rollinecin B?
The CAS number of Rollinecin B is 178034-07-6.
What is the molecular formula of Rollinecin B?
The molecular formula of Rollinecin B is C37H68O7.
What is the molecular weight of Rollinecin B?
The molecular weight of Rollinecin B is 624.50 g/mol.
Where can I buy Rollinecin B?
You can request a quote for Rollinecin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rollinecin B?
Yes, KEHONG BIO provides custom synthesis services for Rollinecin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.