Bocanta
TL;DR: Bocanta (CAS 63520-00-3) is a chemical compound with molecular formula C44H58N8O14S2 and molecular weight 986.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[4,17-dimethyl-3,6,10,13,16,19,23,26-octaoxo-20-(phenylmethoxycarbonylamino)-11,24-di(propan-2-yl)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]carbamate
Also Known As: BOCANTA, benzyl N-[4,17-dimethyl-3,6,10,13,16,19,23,26-octaoxo-20-(phenylmethoxycarbonylamino)-11,24-di(propan-2-yl)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]carbamate, L-Valine, N-((phenylmethoxy)carbonyl)-D-seryl-L-alanyl-L-cysteinyl-,bimol. (4->1'),(4'->1)-dilactone, cyclic (3->3')-disulfide 8,4,4
| Molecular Formula | C44H58N8O14S2 |
|---|---|
| Molecular Weight | 986.35 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 354.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 986.3514 |
| Heavy Atoms | 68 |
| Complexity | 1670.0 |
Chemical Identifiers
| CAS Number | 63520-00-3 |
|---|---|
| SMILES | CC1C(=O)NC2CSSCC(C(=O)NC(C(=O)OCC(C(=O)N1)NC(=O)OCC3=CC=CC=C3)C(C)C)NC(=O)C(NC(=O)C(COC(=O)C(NC2=O)C(C)C)NC(=O)OCC4=CC=CC=C4)C |
| InChIKey | VACNEHMJUCTSDI-UHFFFAOYSA-N |
Product Overview
Bocanta (CAS 63520-00-3), with molecular formula C44H58N8O14S2 and molecular weight 986.35 g/mol. IUPAC: benzyl N-[4,17-dimethyl-3,6,10,13,16,19,23,26-octaoxo-20-(phenylmethoxycarbonylamino)-11,24-di(propan-2-yl)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]carbamate.
Chemical Property Profile of Bocanta
Property Insights of Bocanta
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bocanta. The TPSA of 354.0 Ų indicates high polarity, suggesting Bocanta may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bocanta has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bocanta?
The CAS number of Bocanta is 63520-00-3.
What is the molecular formula of Bocanta?
The molecular formula of Bocanta is C44H58N8O14S2.
What is the molecular weight of Bocanta?
The molecular weight of Bocanta is 986.35 g/mol.
Where can I buy Bocanta?
You can request a quote for Bocanta directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bocanta?
Yes, KEHONG BIO provides custom synthesis services for Bocanta and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.