Bottromycin C2
TL;DR: Bottromycin C2 (CAS 11027-19-3) is a chemical compound with molecular formula C43H64N8O7S and molecular weight 836.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-[[2-[[amino-[1-[2-[[3,3-dimethyl-2-(4-methylpent-2-enoylamino)butanoyl]amino]-3-methylbutanoyl]-3,4-dimethylpyrrolidin-2-yl]methylidene]amino]acetyl]amino]-3-phenylbutanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate
Also Known As: Bottromycin C2, b-Alanine,N-[(2S)-1-amino-2-[(glycyl-3,3-dimethyl-L-prolyl-L-valyl)amino]-3,3-dimethylbutylidene]-3-methyl-L-valyl-(bS)-b-methyl-L-phenylalanyl-3-(2-thiazolyl)-, methyl ester,cyclic (1®1')-imine, (3R)-
| Molecular Formula | C43H64N8O7S |
|---|---|
| Molecular Weight | 836.46 g/mol |
| LogP | 3.8761 |
| Topological Polar Surface Area | 214.28 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Exact Mass | 836.46185 |
| Heavy Atoms | 59 |
| Complexity | 1808.8448 |
Chemical Identifiers
| CAS Number | 11027-19-3 |
|---|---|
| SMILES | CC1CN(C(C1C)C(=NCC(=O)NC(C(C)C2=CC=CC=C2)C(=O)NC(CC(=O)OC)C3=NC=CS3)N)C(=O)C(C(C)C)NC(=O)C(C(C)(C)C)NC(=O)C=CC(C)C |
Product Overview
Bottromycin C2 (CAS 11027-19-3), with molecular formula C43H64N8O7S and molecular weight 836.46 g/mol. IUPAC: methyl 3-[[2-[[2-[[amino-[1-[2-[[3,3-dimethyl-2-(4-methylpent-2-enoylamino)butanoyl]amino]-3-methylbutanoyl]-3,4-dimethylpyrrolidin-2-yl]methylidene]amino]acetyl]amino]-3-phenylbutanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate.
Chemical Property Profile of Bottromycin C2
Property Insights of Bottromycin C2
The XLogP value of 3.8761 indicates that Bottromycin C2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 214.28 Ų indicates high polarity, suggesting Bottromycin C2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bottromycin C2 has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bottromycin C2?
The CAS number of Bottromycin C2 is 11027-19-3.
What is the molecular formula of Bottromycin C2?
The molecular formula of Bottromycin C2 is C43H64N8O7S.
What is the molecular weight of Bottromycin C2?
The molecular weight of Bottromycin C2 is 836.46 g/mol.
Where can I buy Bottromycin C2?
You can request a quote for Bottromycin C2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bottromycin C2?
Yes, KEHONG BIO provides custom synthesis services for Bottromycin C2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.