Macbecin I; NSC 330499
TL;DR: Macbecin I; NSC 330499 (CAS 73341-72-7) is a chemical compound with molecular formula C30H42N2O8 and molecular weight 558.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl) carbamate
Also Known As: Macbecin I, Macbecin, Macbecin I; NSC 330499, C-14919 E-1, 2-Azabicyclo[16.3.1]docosane, geldanamycin deriv.
| Molecular Formula | C30H42N2O8 |
|---|---|
| Molecular Weight | 558.29 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 558.2941 |
| Heavy Atoms | 40 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 73341-72-7 |
|---|---|
| SMILES | CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C=C(C1OC)C2=O)C)C)OC(=O)N)C)C)OC)OC |
| InChIKey | PLTGBUPHJAKFMA-UHFFFAOYSA-N |
Product Overview
Macbecin I; NSC 330499 (CAS 73341-72-7), with molecular formula C30H42N2O8 and molecular weight 558.29 g/mol. IUPAC: (13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl) carbamate.
Chemical Property Profile of Macbecin I; NSC 330499
Property Insights of Macbecin I; NSC 330499
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Macbecin I; NSC 330499. The TPSA of 143.0 Ų indicates high polarity, suggesting Macbecin I; NSC 330499 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Macbecin I; NSC 330499 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Macbecin I; NSC 330499?
The CAS number of Macbecin I; NSC 330499 is 73341-72-7.
What is the molecular formula of Macbecin I; NSC 330499?
The molecular formula of Macbecin I; NSC 330499 is C30H42N2O8.
What is the molecular weight of Macbecin I; NSC 330499?
The molecular weight of Macbecin I; NSC 330499 is 558.29 g/mol.
Where can I buy Macbecin I; NSC 330499?
You can request a quote for Macbecin I; NSC 330499 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Macbecin I; NSC 330499?
Yes, KEHONG BIO provides custom synthesis services for Macbecin I; NSC 330499 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.