4a-epi-Nanaomycin B
TL;DR: 4a-epi-Nanaomycin B (CAS 72691-97-5) is a chemical compound with molecular formula C16H16O7 and molecular weight 320.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1S,3R,4aS,10aR)-9,10a-dihydroxy-1-methyl-5,10-dioxo-1,3,4,4a-tetrahydrobenzo[g]isochromen-3-yl]acetic acid
Also Known As: 4a-epi-Nanaomycin B, Nanaomycin B, 5-18-09-00351 (Beilstein Handbook Reference), 1H-Naphtho(2,3-c)pyran-3-acetic acid, 3,4,4a,5,10,10a-hexahydro-9,10a-dihydroxy-1-methyl-5,10-dioxo-, (1S-(1alpha,3beta,4abeta,10abeta))-, 2-[(1S,3R,4aS,10aR)-9,10a-dihydroxy-1-methyl-5,10-dioxo-1,3,4,4a-tetrahydrobenzo[g]isochromen-3-yl]acetic acid
| Molecular Formula | C16H16O7 |
|---|---|
| Molecular Weight | 320.09 g/mol |
| LogP | 0.7706 |
| Topological Polar Surface Area | 121.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.0896 |
| Heavy Atoms | 23 |
| Complexity | 710.3804 |
Chemical Identifiers
| CAS Number | 72691-97-5 |
|---|---|
| SMILES | C[C@H]1[C@@]2([C@H](C[C@@H](O1)CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O)O |
Product Overview
4a-epi-Nanaomycin B (CAS 72691-97-5), with molecular formula C16H16O7 and molecular weight 320.09 g/mol. IUPAC: 2-[(1S,3R,4aS,10aR)-9,10a-dihydroxy-1-methyl-5,10-dioxo-1,3,4,4a-tetrahydrobenzo[g]isochromen-3-yl]acetic acid.
Chemical Property Profile of 4a-epi-Nanaomycin B
Property Insights of 4a-epi-Nanaomycin B
The XLogP value of 0.7706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a-epi-Nanaomycin B. The TPSA of 121.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 4a-epi-Nanaomycin B. Following Lipinski's Rule of Five, 4a-epi-Nanaomycin B has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4a-epi-Nanaomycin B?
The CAS number of 4a-epi-Nanaomycin B is 72691-97-5.
What is the molecular formula of 4a-epi-Nanaomycin B?
The molecular formula of 4a-epi-Nanaomycin B is C16H16O7.
What is the molecular weight of 4a-epi-Nanaomycin B?
The molecular weight of 4a-epi-Nanaomycin B is 320.09 g/mol.
Where can I buy 4a-epi-Nanaomycin B?
You can request a quote for 4a-epi-Nanaomycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a-epi-Nanaomycin B?
Yes, KEHONG BIO provides custom synthesis services for 4a-epi-Nanaomycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.