Kalimantacin B
TL;DR: Kalimantacin B (CAS 174513-96-3) is a chemical compound with molecular formula C30H48N2O7 and molecular weight 548.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,10E,12E)-20-[(3-carbamoyloxy-2-methylbutanoyl)amino]-19-hydroxy-3,5,15-trimethyl-7-methylidene-17-oxoicosa-2,10,12-trienoic acid
Also Known As: Kalimantacin A, Kalimantacin B, (2E,10E,12E)-20-[(3-carbamoyloxy-2-methylbutanoyl)amino]-19-hydroxy-3,5,15-trimethyl-7-methylidene-17-oxoicosa-2,10,12-trienoic acid, (2E,10E,12E)-20-{[3-(carbamoyloxy)-2-methylbutanoyl]amino}-19-hydroxy-3,5,15-trimethyl-7-methylidene-17-oxoicosa-2,10,12-trienoic acid, (2E,10E,12E)-19-Hydroxy-7-methylene-17-oxo-3,5,15-trimethyl-20-[[3-[(aminocarbonyl)oxy]-2-methylbutyryl]amino]-2,10,12-icosatrienoic acid
| Molecular Formula | C30H48N2O7 |
|---|---|
| Molecular Weight | 548.35 g/mol |
| LogP | 4.8549 |
| Topological Polar Surface Area | 156.02 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 548.3461 |
| Heavy Atoms | 39 |
| Complexity | 906.9869 |
Chemical Identifiers
| CAS Number | 174513-96-3 |
|---|---|
| SMILES | CC(C/C=C/C=C/CCC(=C)CC(C)C/C(=C/C(=O)O)/C)CC(=O)CC(CNC(=O)C(C)C(C)OC(=O)N)O |
Product Overview
Kalimantacin B (CAS 174513-96-3), with molecular formula C30H48N2O7 and molecular weight 548.35 g/mol. IUPAC: (2E,10E,12E)-20-[(3-carbamoyloxy-2-methylbutanoyl)amino]-19-hydroxy-3,5,15-trimethyl-7-methylidene-17-oxoicosa-2,10,12-trienoic acid.
Chemical Property Profile of Kalimantacin B
Property Insights of Kalimantacin B
The XLogP value of 4.8549 indicates that Kalimantacin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.02 Ų indicates high polarity, suggesting Kalimantacin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kalimantacin B has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kalimantacin B?
The CAS number of Kalimantacin B is 174513-96-3.
What is the molecular formula of Kalimantacin B?
The molecular formula of Kalimantacin B is C30H48N2O7.
What is the molecular weight of Kalimantacin B?
The molecular weight of Kalimantacin B is 548.35 g/mol.
Where can I buy Kalimantacin B?
You can request a quote for Kalimantacin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kalimantacin B?
Yes, KEHONG BIO provides custom synthesis services for Kalimantacin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.