Homohalichondrin B
TL;DR: Homohalichondrin B (CAS 101383-39-5) is a chemical compound with molecular formula C61H86O19 and molecular weight 1122.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: Homohalichondrin B, Homohalichondrin A, 12,13-dideoxy-, RefChem:146734
| Molecular Formula | C61H86O19 |
|---|---|
| Molecular Weight | 1122.58 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 2 |
| Exact Mass | 1122.5763 |
| Heavy Atoms | 80 |
| Complexity | 2410.0 |
Chemical Identifiers
| CAS Number | 101383-39-5 |
|---|---|
| SMILES | CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)OC9C(C3C(CC4C(O3)CC3(O4)CC4C(O3)C(CC3(O4)CC(C4C(O3)CC3C(O4)CC(O3)C(CO)O)C)C)OC9CC(C1=C)O2)C |
| InChIKey | LMZKVILFCFSDGK-UHFFFAOYSA-N |
Product Overview
Homohalichondrin B (CAS 101383-39-5), with molecular formula C61H86O19 and molecular weight 1122.58 g/mol.
Chemical Property Profile of Homohalichondrin B
Property Insights of Homohalichondrin B
The XLogP value of 3.9 indicates that Homohalichondrin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 205.0 Ų indicates high polarity, suggesting Homohalichondrin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Homohalichondrin B has 2 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Homohalichondrin B?
The CAS number of Homohalichondrin B is 101383-39-5.
What is the molecular formula of Homohalichondrin B?
The molecular formula of Homohalichondrin B is C61H86O19.
What is the molecular weight of Homohalichondrin B?
The molecular weight of Homohalichondrin B is 1122.58 g/mol.
Where can I buy Homohalichondrin B?
You can request a quote for Homohalichondrin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Homohalichondrin B?
Yes, KEHONG BIO provides custom synthesis services for Homohalichondrin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.