丁苷菌素B
TL;DR: 丁苷菌素B (CAS 34291-02-6) is a chemical compound with molecular formula C21H41N5O12 and molecular weight 555.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁苷菌素B
4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide
Also Known As: Butirosin B, Ambutyrosin, Butirosina, Butirosin, butirosin A
| Molecular Formula | C21H41N5O12 |
|---|---|
| Molecular Weight | 555.28 g/mol |
| LogP | -7.3 |
| Topological Polar Surface Area | 312.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 555.27515 |
| Heavy Atoms | 38 |
| Complexity | 772.0 |
Chemical Identifiers
| CAS Number | 34291-02-6 |
|---|---|
| SMILES | C1C(C(C(C(C1NC(=O)C(CCN)O)O)OC2C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CN)O)O)N)N |
| InChIKey | XEQLFNPSYWZPOW-UHFFFAOYSA-N |
Product Overview
丁苷菌素B (CAS 34291-02-6), with molecular formula C21H41N5O12 and molecular weight 555.28 g/mol. IUPAC: 4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide.
Chemical Property Profile of 丁苷菌素B
Property Insights of 丁苷菌素B
The XLogP value of -7.3 indicates that 丁苷菌素B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 312.0 Ų indicates high polarity, suggesting 丁苷菌素B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 丁苷菌素B has 12 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 丁苷菌素B?
The CAS number of 丁苷菌素B is 34291-02-6.
What is the molecular formula of 丁苷菌素B?
The molecular formula of 丁苷菌素B is C21H41N5O12.
What is the molecular weight of 丁苷菌素B?
The molecular weight of 丁苷菌素B is 555.28 g/mol.
Where can I buy 丁苷菌素B?
You can request a quote for 丁苷菌素B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁苷菌素B?
Yes, KEHONG BIO provides custom synthesis services for 丁苷菌素B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.