C27H43NO8.5/4ClH.H2O
TL;DR: C27H43NO8.5/4ClH.H2O (CAS 115076-72-7) is a chemical compound with molecular formula C108H177Cl5N4O32 and molecular weight 2217.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrakis((3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl) 2-morpholin-4-ylpropanoate);pentahydrochloride
Also Known As: C27H43NO8.5/4ClH.H2O, C27-H43-N-O8.5/4Cl-H.H2-O, 1H-Naphtho(2,1-B)pyran, 4-morpholineacetic acid deriv., 4-Morpholineacetic acid, alpha-methyl-, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-5-yl ester, hydrochloride, hydrate (4:5:4), (3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl) 2-morpholin-4-ylpropanoate pentahydrochloride
| Molecular Formula | C108H177Cl5N4O32 |
|---|---|
| Molecular Weight | 2217.08 g/mol |
| LogP | 6.9918 |
| Topological Polar Surface Area | 503.04 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 36 |
| Rotatable Bonds | 16 |
| Exact Mass | 2217.0789 |
| Heavy Atoms | 149 |
| Complexity | 4285.376 |
Chemical Identifiers
| CAS Number | 115076-72-7 |
|---|---|
| SMILES | CC(C(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O)N4CCOCC4.CC(C(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O)N4CCOCC4.CC(C(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O)N4CCOCC4.CC(C(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O)N4CCOCC4.Cl.Cl.Cl.Cl.Cl |
Product Overview
C27H43NO8.5/4ClH.H2O (CAS 115076-72-7), with molecular formula C108H177Cl5N4O32 and molecular weight 2217.08 g/mol. IUPAC: tetrakis((3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl) 2-morpholin-4-ylpropanoate);pentahydrochloride.
Chemical Property Profile of C27H43NO8.5/4ClH.H2O
Property Insights of C27H43NO8.5/4ClH.H2O
The XLogP value of 6.9918 indicates that C27H43NO8.5/4ClH.H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 503.04 Ų indicates high polarity, suggesting C27H43NO8.5/4ClH.H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C27H43NO8.5/4ClH.H2O has 12 hydrogen bond donor(s) and 36 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C27H43NO8.5/4ClH.H2O?
The CAS number of C27H43NO8.5/4ClH.H2O is 115076-72-7.
What is the molecular formula of C27H43NO8.5/4ClH.H2O?
The molecular formula of C27H43NO8.5/4ClH.H2O is C108H177Cl5N4O32.
What is the molecular weight of C27H43NO8.5/4ClH.H2O?
The molecular weight of C27H43NO8.5/4ClH.H2O is 2217.08 g/mol.
Where can I buy C27H43NO8.5/4ClH.H2O?
You can request a quote for C27H43NO8.5/4ClH.H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H43NO8.5/4ClH.H2O?
Yes, KEHONG BIO provides custom synthesis services for C27H43NO8.5/4ClH.H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.