Bottromycin
TL;DR: Bottromycin (CAS 1393-68-6) is a chemical compound with molecular formula C42H62N8O7S and molecular weight 822.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-[[2-[(6-tert-butyl-13-methyl-2,8,11-trioxo-9-propan-2-yl-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl)amino]-3,3-dimethylbutanoyl]amino]-3-phenylbutanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate
Also Known As: Bottromycin, Bottromycin A2, Bottromycin A(2), Botryococcen, Bottromycic A2 acid, methyl ester
| Molecular Formula | C42H62N8O7S |
|---|---|
| Molecular Weight | 822.45 g/mol |
| LogP | 3.4771 |
| Topological Polar Surface Area | 200.29 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 822.4462 |
| Heavy Atoms | 58 |
| Complexity | 1804.8741 |
Chemical Identifiers
| CAS Number | 1393-68-6 |
|---|---|
| SMILES | CC1CCN2C1C(=O)NC(C(=O)NC(C(=NCC2=O)NC(C(=O)NC(C(C)C3=CC=CC=C3)C(=O)NC(CC(=O)OC)C4=NC=CS4)C(C)(C)C)C(C)(C)C)C(C)C |
Product Overview
Bottromycin (CAS 1393-68-6), with molecular formula C42H62N8O7S and molecular weight 822.45 g/mol. IUPAC: methyl 3-[[2-[[2-[(6-tert-butyl-13-methyl-2,8,11-trioxo-9-propan-2-yl-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl)amino]-3,3-dimethylbutanoyl]amino]-3-phenylbutanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate.
Chemical Property Profile of Bottromycin
Property Insights of Bottromycin
The XLogP value of 3.4771 indicates that Bottromycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 200.29 Ų indicates high polarity, suggesting Bottromycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bottromycin has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bottromycin?
The CAS number of Bottromycin is 1393-68-6.
What is the molecular formula of Bottromycin?
The molecular formula of Bottromycin is C42H62N8O7S.
What is the molecular weight of Bottromycin?
The molecular weight of Bottromycin is 822.45 g/mol.
Where can I buy Bottromycin?
You can request a quote for Bottromycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bottromycin?
Yes, KEHONG BIO provides custom synthesis services for Bottromycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.