18-O-demethyl cervinomycin A2
TL;DR: 18-O-demethyl cervinomycin A2 (CAS 113537-08-9) is a chemical compound with molecular formula C28H19NO9 and molecular weight 513.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,24-dihydroxy-23-methoxy-10-methyl-9,20-dioxa-6-azaheptacyclo[15.12.0.02,14.04,12.06,10.019,28.021,26]nonacosa-1(17),2,4(12),13,15,19(28),21,23,25-nonaene-5,18,27,29-tetrone
Also Known As: Antibiotic 167A, Antibiotic 4181-2, 18-O-demethyl cervinomycin A2, (1)Benzopyrano(2',3':6,7)naphth(2,1-g)oxazolo(3,2-b)isoquinoline-8,14,15,17-tetrone, 1,2,3a,4-tetrahydro-12,16-dihydroxy-11-methoxy-3a-methyl-, 3,24-dihydroxy-23-methoxy-10-methyl-9,20-dioxa-6-azaheptacyclo[15.12.0.02,14.04,12.06,10.019,28.021,26]nonacosa-1(17),2,4(12),13,15,19(28),21,23,25-nonaene-5,18,27,29-tetrone
| Molecular Formula | C28H19NO9 |
|---|---|
| Molecular Weight | 513.11 g/mol |
| LogP | 2.8861 |
| Topological Polar Surface Area | 143.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 513.10596 |
| Heavy Atoms | 38 |
| Complexity | 1886.0828 |
Chemical Identifiers
| CAS Number | 113537-08-9 |
|---|---|
| SMILES | CC12CC3=C(C(=C4C(=C3)C=CC5=C4C(=O)C6=C(C5=O)OC7=CC(=C(C=C7C6=O)O)OC)O)C(=O)N1CCO2 |
Product Overview
18-O-demethyl cervinomycin A2 (CAS 113537-08-9), with molecular formula C28H19NO9 and molecular weight 513.11 g/mol. IUPAC: 3,24-dihydroxy-23-methoxy-10-methyl-9,20-dioxa-6-azaheptacyclo[15.12.0.02,14.04,12.06,10.019,28.021,26]nonacosa-1(17),2,4(12),13,15,19(28),21,23,25-nonaene-5,18,27,29-tetrone.
Chemical Property Profile of 18-O-demethyl cervinomycin A2
Property Insights of 18-O-demethyl cervinomycin A2
The XLogP value of 2.8861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 18-O-demethyl cervinomycin A2. The TPSA of 143.58 Ų indicates high polarity, suggesting 18-O-demethyl cervinomycin A2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 18-O-demethyl cervinomycin A2 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 18-O-demethyl cervinomycin A2?
The CAS number of 18-O-demethyl cervinomycin A2 is 113537-08-9.
What is the molecular formula of 18-O-demethyl cervinomycin A2?
The molecular formula of 18-O-demethyl cervinomycin A2 is C28H19NO9.
What is the molecular weight of 18-O-demethyl cervinomycin A2?
The molecular weight of 18-O-demethyl cervinomycin A2 is 513.11 g/mol.
Where can I buy 18-O-demethyl cervinomycin A2?
You can request a quote for 18-O-demethyl cervinomycin A2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 18-O-demethyl cervinomycin A2?
Yes, KEHONG BIO provides custom synthesis services for 18-O-demethyl cervinomycin A2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.