消旋-巴兰醇
TL;DR: 消旋-巴兰醇 (CAS 167937-47-5) is a chemical compound with molecular formula C28H26N2O10 and molecular weight 550.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
消旋-巴兰醇
2-[2,6-dihydroxy-4-[3-[(4-hydroxybenzoyl)amino]azepan-4-yl]oxycarbonylbenzoyl]-3-hydroxybenzoic acid
Also Known As: balanol, rac-Balanol, rac-syn-Balanol, Ophiocordin;Azepinostatin, Balanol Analog 1(+/-)
| Molecular Formula | C28H26N2O10 |
|---|---|
| Molecular Weight | 550.16 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 550.15875 |
| Heavy Atoms | 40 |
| Complexity | 911.0 |
Chemical Identifiers
| CAS Number | 167937-47-5 |
|---|---|
| SMILES | C1CC(C(CNC1)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC(=C(C(=C3)O)C(=O)C4=C(C=CC=C4O)C(=O)O)O |
| InChIKey | XYUFCXJZFZPEJD-UHFFFAOYSA-N |
Product Overview
消旋-巴兰醇 (CAS 167937-47-5), with molecular formula C28H26N2O10 and molecular weight 550.16 g/mol. IUPAC: 2-[2,6-dihydroxy-4-[3-[(4-hydroxybenzoyl)amino]azepan-4-yl]oxycarbonylbenzoyl]-3-hydroxybenzoic acid.
Chemical Property Profile of 消旋-巴兰醇
Property Insights of 消旋-巴兰醇
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 消旋-巴兰醇. The TPSA of 203.0 Ų indicates high polarity, suggesting 消旋-巴兰醇 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 消旋-巴兰醇 has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 消旋-巴兰醇?
The CAS number of 消旋-巴兰醇 is 167937-47-5.
What is the molecular formula of 消旋-巴兰醇?
The molecular formula of 消旋-巴兰醇 is C28H26N2O10.
What is the molecular weight of 消旋-巴兰醇?
The molecular weight of 消旋-巴兰醇 is 550.16 g/mol.
Where can I buy 消旋-巴兰醇?
You can request a quote for 消旋-巴兰醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 消旋-巴兰醇?
Yes, KEHONG BIO provides custom synthesis services for 消旋-巴兰醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.