軟海綿素B
TL;DR: 軟海綿素B (CAS 103614-76-2) is a chemical compound with molecular formula C60H86O19 and molecular weight 1110.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
軟海綿素B
Also Known As: Halichondrin B, HALICHONDRIN B [MI], Halichondrin A, 12,13-dideoxy-, HALICHONDRIN B, (-)-, RefChem:145045
| Molecular Formula | C60H86O19 |
|---|---|
| Molecular Weight | 1110.58 g/mol |
| LogP | 4.9254 |
| Topological Polar Surface Area | 216.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 4 |
| Exact Mass | 1110.5763 |
| Heavy Atoms | 79 |
| Complexity | 2341.3855 |
Chemical Identifiers
| CAS Number | 103614-76-2 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)O[C@@H]9[C@H]([C@H]3[C@H](C[C@@H]4[C@H](O3)C[C@@]3(O4)C[C@H]4[C@@H](O3)[C@H](C[C@]3(O4)C[C@@H]([C@H]4[C@@H](O3)C[C@H](O4)[C@H](C[C@H](CO)O)O)C)C)O[C@H]9C[C@H](C1=C)O2)C |
Product Overview
軟海綿素B (CAS 103614-76-2), with molecular formula C60H86O19 and molecular weight 1110.58 g/mol.
Chemical Property Profile of 軟海綿素B
Property Insights of 軟海綿素B
The XLogP value of 4.9254 indicates that 軟海綿素B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 216.21 Ų indicates high polarity, suggesting 軟海綿素B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 軟海綿素B has 3 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 軟海綿素B?
The CAS number of 軟海綿素B is 103614-76-2.
What is the molecular formula of 軟海綿素B?
The molecular formula of 軟海綿素B is C60H86O19.
What is the molecular weight of 軟海綿素B?
The molecular weight of 軟海綿素B is 1110.58 g/mol.
Where can I buy 軟海綿素B?
You can request a quote for 軟海綿素B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 軟海綿素B?
Yes, KEHONG BIO provides custom synthesis services for 軟海綿素B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.