Azicemicin B
TL;DR: Azicemicin B (CAS 162857-75-2) is a chemical compound with molecular formula C22H23NO9 and molecular weight 445.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aziridin-2-yl)-3,7,8,10,12b-pentahydroxy-9,12-dimethoxy-2,4,4a,5-tetrahydrobenzo[a]anthracene-1,6-dione
Also Known As: Azicemicin B, 3-(aziridin-2-yl)-3,7,8,10,12b-pentahydroxy-9,12-dimethoxy-2,4,4a,5-tetrahydrobenzo[a]anthracene-1,6-dione, Benz(a)anthracene-1,6(2H,5H)-dione, 3,4,4a,12b-tetrahydro-3-(2-aziridinyl)-9,12-dimethoxy-3,7,8,10,12b-pentahydroxy-, 3,4,4a,12b-Tetrahydro-3-(aziridin-2-yl)-3,7,8,10,12b-pentahydroxy-9,12-dimethoxybenz[a]anthracene-1,6(2H,5H)-dione, 3-(AZIRIDIN-2-YL)-3,7,8,10,12B-PENTAHYDROXY-9,12-DIMETHOXY-1,2,3,4,4A,5,6,12B-OCTAHYDROTETRAPHENE-1,6-DIONE
| Molecular Formula | C22H23NO9 |
|---|---|
| Molecular Weight | 445.14 g/mol |
| LogP | 0.4298 |
| Topological Polar Surface Area | 175.69 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 445.13727 |
| Heavy Atoms | 32 |
| Complexity | 1204.3303 |
Chemical Identifiers
| CAS Number | 162857-75-2 |
|---|---|
| SMILES | COC1=C2C(=C(C3=C(C(=C(C=C31)O)OC)O)O)C(=O)CC4C2(C(=O)CC(C4)(C5CN5)O)O |
Product Overview
Azicemicin B (CAS 162857-75-2), with molecular formula C22H23NO9 and molecular weight 445.14 g/mol. IUPAC: 3-(aziridin-2-yl)-3,7,8,10,12b-pentahydroxy-9,12-dimethoxy-2,4,4a,5-tetrahydrobenzo[a]anthracene-1,6-dione.
Chemical Property Profile of Azicemicin B
Property Insights of Azicemicin B
The XLogP value of 0.4298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azicemicin B. The TPSA of 175.69 Ų indicates high polarity, suggesting Azicemicin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Azicemicin B has 6 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 Azicemicin B?
The CAS number of Azicemicin B is 162857-75-2.
What is the molecular formula of Azicemicin B?
The molecular formula of Azicemicin B is C22H23NO9.
What is the molecular weight of Azicemicin B?
The molecular weight of Azicemicin B is 445.14 g/mol.
Where can I buy Azicemicin B?
You can request a quote for Azicemicin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azicemicin B?
Yes, KEHONG BIO provides custom synthesis services for Azicemicin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.