Cephalomannine
TL;DR: Cephalomannine (CAS 150547-36-7) is a chemical compound with molecular formula C45H53NO14 and molecular weight 831.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,12-diacetyloxy-1,9-dihydroxy-15-[2-hydroxy-3-(2-methylbut-2-enoylamino)-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Also Known As: Cephalomannine, Taxol B, 7-epi-Cephalomannine, Taxol B (Cephalomannine), NSC 318735; NSC 318735; NSC318735
| Molecular Formula | C45H53NO14 |
|---|---|
| Molecular Weight | 831.35 g/mol |
| LogP | 3.3881 |
| Topological Polar Surface Area | 221.29 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 831.3466 |
| Heavy Atoms | 60 |
| Complexity | 2114.7234 |
Chemical Identifiers
| CAS Number | 150547-36-7 |
|---|---|
| SMILES | CC=C(C)C(=O)NC(C1=CC=CC=C1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O |
Product Overview
Cephalomannine (CAS 150547-36-7), with molecular formula C45H53NO14 and molecular weight 831.35 g/mol. IUPAC: [4,12-diacetyloxy-1,9-dihydroxy-15-[2-hydroxy-3-(2-methylbut-2-enoylamino)-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate.
Chemical Property Profile of Cephalomannine
Property Insights of Cephalomannine
The XLogP value of 3.3881 indicates that Cephalomannine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 221.29 Ų indicates high polarity, suggesting Cephalomannine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cephalomannine has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cephalomannine?
The CAS number of Cephalomannine is 150547-36-7.
What is the molecular formula of Cephalomannine?
The molecular formula of Cephalomannine is C45H53NO14.
What is the molecular weight of Cephalomannine?
The molecular weight of Cephalomannine is 831.35 g/mol.
Where can I buy Cephalomannine?
You can request a quote for Cephalomannine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cephalomannine?
Yes, KEHONG BIO provides custom synthesis services for Cephalomannine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.