LL-D49194alpha1
TL;DR: LL-D49194alpha1 (CAS 6625-07-6) is a chemical compound with molecular formula C48H64O22 and molecular weight 992.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[19-[[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-methoxymethyl]-10,13-dihydroxy-6,17-dimethoxy-3-methyl-11-oxospiro[16,20,22-trioxahexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosa-2(15),3,5(14),6,12-pentaene-18,2'-oxirane]-8-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate
Also Known As: LL-D49194alpha1, LL-D 49194 alpha1, LL D49194alpha 1, LL-D49194 ALPHA 1, NCI60_003622
| Molecular Formula | C48H64O22 |
|---|---|
| Molecular Weight | 992.39 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 288.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 12 |
| Exact Mass | 992.3889 |
| Heavy Atoms | 70 |
| Complexity | 2000.0 |
Chemical Identifiers
| CAS Number | 6625-07-6 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2(C)O)OC(C34C5(CO5)C6(C(O3)C(O4)C7=C(O6)C8=C(C=C7C)C(=C9C(CC(C(=O)C9=C8O)O)OC1CC(C(C(O1)C)OC(=O)C)(C)O)OC)OC)OC)C)(C)O)O |
| InChIKey | FZSZABYRGYFXRS-UHFFFAOYSA-N |
Product Overview
LL-D49194alpha1 (CAS 6625-07-6), with molecular formula C48H64O22 and molecular weight 992.39 g/mol. IUPAC: [6-[19-[[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-methoxymethyl]-10,13-dihydroxy-6,17-dimethoxy-3-methyl-11-oxospiro[16,20,22-trioxahexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosa-2(15),3,5(14),6,12-pentaene-18,2'-oxirane]-8-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate.
Chemical Property Profile of LL-D49194alpha1
Property Insights of LL-D49194alpha1
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for LL-D49194alpha1. The TPSA of 288.0 Ų indicates high polarity, suggesting LL-D49194alpha1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, LL-D49194alpha1 has 6 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of LL-D49194alpha1?
The CAS number of LL-D49194alpha1 is 6625-07-6.
What is the molecular formula of LL-D49194alpha1?
The molecular formula of LL-D49194alpha1 is C48H64O22.
What is the molecular weight of LL-D49194alpha1?
The molecular weight of LL-D49194alpha1 is 992.39 g/mol.
Where can I buy LL-D49194alpha1?
You can request a quote for LL-D49194alpha1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LL-D49194alpha1?
Yes, KEHONG BIO provides custom synthesis services for LL-D49194alpha1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.