ZERO/000539
TL;DR: ZERO/000539 (CAS 281676-67-3) is a chemical compound with molecular formula C18H17NO4 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-17,19-dioxa-4-azapentacyclo[14.2.1.02,14.04,13.05,10]nonadeca-5,7,9,11-tetraen-15-one
Also Known As: ZERO/000539, 12-acetyl-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-{a}]quinolin-7-one, 3-acetyl-17,19-dioxa-4-azapentacyclo[14.2.1.02,14.04,13.05,10]nonadeca-5,7,9,11-tetraen-15-one, Benz[e]oxepino[4,5-a]indolizin-5-one, 1,2,4,5,5a,5b,13,13a-octahydro-13-acetyl-1,4-epoxy-,
12-acetyl-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[ 1,2-{a}]quinolin-7-one
| Molecular Formula | C18H17NO4 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.11575 |
| Heavy Atoms | 23 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 281676-67-3 |
|---|---|
| SMILES | CC(=O)C1C2C3COC(O3)C(=O)C2C4N1C5=CC=CC=C5C=C4 |
| InChIKey | JMYRQFURESEJJS-UHFFFAOYSA-N |
Product Overview
ZERO/000539 (CAS 281676-67-3), with molecular formula C18H17NO4 and molecular weight 311.12 g/mol. IUPAC: 3-acetyl-17,19-dioxa-4-azapentacyclo[14.2.1.02,14.04,13.05,10]nonadeca-5,7,9,11-tetraen-15-one.
Chemical Property Profile of ZERO/000539
Property Insights of ZERO/000539
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ZERO/000539. With a topological polar surface area (TPSA) of 55.8 Ų, ZERO/000539 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ZERO/000539 has 0 hydrogen bond donor(s) and 5 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 ZERO/000539?
The CAS number of ZERO/000539 is 281676-67-3.
What is the molecular formula of ZERO/000539?
The molecular formula of ZERO/000539 is C18H17NO4.
What is the molecular weight of ZERO/000539?
The molecular weight of ZERO/000539 is 311.12 g/mol.
Where can I buy ZERO/000539?
You can request a quote for ZERO/000539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ZERO/000539?
Yes, KEHONG BIO provides custom synthesis services for ZERO/000539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.