CAS 79548-62-2 - C49H78O15
TL;DR: CAS 79548-62-2 - C49H78O15 (CAS 79548-62-2) is a chemical compound with molecular formula C49H78O15 and molecular weight 906.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[17-acetyl-8,14-dihydroxy-3-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] 3,4-dimethylpent-2-enoate
Also Known As: Pregn-5-en-20-one, 3-[(O-2,6-dideoxy-3-O-methyl-I(2)-D-ribo-hexopyranosyl-(1a4)-O-2,6-dideoxy-3-O-methyl-I(2)-D-ribo-hexopyranosyl-(1a4)-2,6-dideoxy-3-O-methyl-I(2)-D-ribo-hexopyranosyl)oxy]-12-[(3,4-dimethyl-1-oxo-2-pentenyl)oxy]-8,14-dihydroxy-, (3I(2),12I(2),14I(2),17I+/-)-
| Molecular Formula | C49H78O15 |
|---|---|
| Molecular Weight | 906.53 g/mol |
| LogP | 5.4744 |
| Topological Polar Surface Area | 187.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 13 |
| Exact Mass | 906.53406 |
| Heavy Atoms | 64 |
| Complexity | 1736.1344 |
Chemical Identifiers
| CAS Number | 79548-62-2 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CCC5(C6CC(C7(C(CCC7(C6(CC=C5C4)O)O)C(=O)C)C)OC(=O)C=C(C)C(C)C)C)C)C)OC)O |
Product Overview
CAS 79548-62-2 - C49H78O15 (CAS 79548-62-2), with molecular formula C49H78O15 and molecular weight 906.53 g/mol. IUPAC: [17-acetyl-8,14-dihydroxy-3-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] 3,4-dimethylpent-2-enoate.
Chemical Property Profile of CAS 79548-62-2 - C49H78O15
Property Insights of CAS 79548-62-2 - C49H78O15
The XLogP value of 5.4744 indicates that CAS 79548-62-2 - C49H78O15 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 187.13 Ų indicates high polarity, suggesting CAS 79548-62-2 - C49H78O15 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CAS 79548-62-2 - C49H78O15 has 3 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CAS 79548-62-2 - C49H78O15?
The CAS number of CAS 79548-62-2 - C49H78O15 is 79548-62-2.
What is the molecular formula of CAS 79548-62-2 - C49H78O15?
The molecular formula of CAS 79548-62-2 - C49H78O15 is C49H78O15.
What is the molecular weight of CAS 79548-62-2 - C49H78O15?
The molecular weight of CAS 79548-62-2 - C49H78O15 is 906.53 g/mol.
Where can I buy CAS 79548-62-2 - C49H78O15?
You can request a quote for CAS 79548-62-2 - C49H78O15 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 79548-62-2 - C49H78O15?
Yes, KEHONG BIO provides custom synthesis services for CAS 79548-62-2 - C49H78O15 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.