Bottromycin B2
TL;DR: Bottromycin B2 (CAS 11044-38-5) is a chemical compound with molecular formula C41H60N8O7S and molecular weight 808.43 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]pyrrolidin-2-yl]methylidene]amino]acetyl]amino]-3-phenylbutanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate
Also Known As: Bottromycin B2, b-Alanine,N-[(2S)-1-amino-2-[(glycyl-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 | C41H60N8O7S |
|---|---|
| Molecular Weight | 808.43 g/mol |
| LogP | 3.3841 |
| Topological Polar Surface Area | 214.28 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Exact Mass | 808.43054 |
| Heavy Atoms | 57 |
| Complexity | 1740.2937 |
Chemical Identifiers
| CAS Number | 11044-38-5 |
|---|---|
| SMILES | CC(C)C=CC(=O)NC(C(=O)NC(C(C)C)C(=O)N1CCCC1C(=NCC(=O)NC(C(C)C2=CC=CC=C2)C(=O)NC(CC(=O)OC)C3=NC=CS3)N)C(C)(C)C |
Product Overview
Bottromycin B2 (CAS 11044-38-5), with molecular formula C41H60N8O7S and molecular weight 808.43 g/mol. IUPAC: methyl 3-[[2-[[2-[[amino-[1-[2-[[3,3-dimethyl-2-(4-methylpent-2-enoylamino)butanoyl]amino]-3-methylbutanoyl]pyrrolidin-2-yl]methylidene]amino]acetyl]amino]-3-phenylbutanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate.
Chemical Property Profile of Bottromycin B2
Property Insights of Bottromycin B2
The XLogP value of 3.3841 indicates that Bottromycin B2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 214.28 Ų indicates high polarity, suggesting Bottromycin B2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bottromycin B2 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 B2?
The CAS number of Bottromycin B2 is 11044-38-5.
What is the molecular formula of Bottromycin B2?
The molecular formula of Bottromycin B2 is C41H60N8O7S.
What is the molecular weight of Bottromycin B2?
The molecular weight of Bottromycin B2 is 808.43 g/mol.
Where can I buy Bottromycin B2?
You can request a quote for Bottromycin B2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bottromycin B2?
Yes, KEHONG BIO provides custom synthesis services for Bottromycin B2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.