Mycobactin
TL;DR: Mycobactin (CAS 1400-46-0) is a chemical compound with molecular formula C27H37N5O10 and molecular weight 591.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(1-hydroxy-2-oxoazepan-3-yl)amino]-3-oxopropyl] 7-[formyl(hydroxy)amino]-2-[[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]heptanoate
Also Known As: Mycobactin, Mycobactins, mycobactin M, Mycobactin (M), [3-[(1-hydroxy-2-oxoazepan-3-yl)amino]-3-oxopropyl] 7-[formyl(hydroxy)amino]-2-[[(2Z)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-oxazolidine-4-carbonyl]amino]heptanoate
| Molecular Formula | C27H37N5O10 |
|---|---|
| Molecular Weight | 591.25 g/mol |
| LogP | 0.2502 |
| Topological Polar Surface Area | 207.4 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 591.254 |
| Heavy Atoms | 42 |
| Complexity | 1146.0564 |
Chemical Identifiers
| CAS Number | 1400-46-0 |
|---|---|
| SMILES | C1CCN(C(=O)C(C1)NC(=O)CCOC(=O)C(CCCCCN(C=O)O)NC(=O)C2COC(=N2)C3=CC=CC=C3O)O |
Product Overview
Mycobactin (CAS 1400-46-0), with molecular formula C27H37N5O10 and molecular weight 591.25 g/mol. IUPAC: [3-[(1-hydroxy-2-oxoazepan-3-yl)amino]-3-oxopropyl] 7-[formyl(hydroxy)amino]-2-[[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]heptanoate.
Chemical Property Profile of Mycobactin
Property Insights of Mycobactin
The XLogP value of 0.2502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mycobactin. The TPSA of 207.4 Ų indicates high polarity, suggesting Mycobactin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mycobactin 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 Mycobactin?
The CAS number of Mycobactin is 1400-46-0.
What is the molecular formula of Mycobactin?
The molecular formula of Mycobactin is C27H37N5O10.
What is the molecular weight of Mycobactin?
The molecular weight of Mycobactin is 591.25 g/mol.
Where can I buy Mycobactin?
You can request a quote for Mycobactin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mycobactin?
Yes, KEHONG BIO provides custom synthesis services for Mycobactin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.