(9R,10S,11S,15R)-13-(4-(benzyloxy)phenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione
TL;DR: (9R,10S,11S,15R)-13-(4-(benzyloxy)phenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione (CAS 1022308-69-5) is a chemical compound with molecular formula C31H23NO3 and molecular weight 457.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(4-phenylmethoxyphenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Also Known As: (9R,10S,11S,15R)-13-(4-(benzyloxy)phenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione, 17-[4-(benzyloxy)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
| Molecular Formula | C31H23NO3 |
|---|---|
| Molecular Weight | 457.17 g/mol |
| LogP | 5.6622 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.1678 |
| Heavy Atoms | 35 |
| Complexity | 1344.8256 |
Chemical Identifiers
| CAS Number | 1022308-69-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57 |
Product Overview
(9R,10S,11S,15R)-13-(4-(benzyloxy)phenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione (CAS 1022308-69-5), with molecular formula C31H23NO3 and molecular weight 457.17 g/mol. IUPAC: 17-(4-phenylmethoxyphenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.
Chemical Property Profile of (9R,10S,11S,15R)-13-(4-(benzyloxy)phenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione
Property Insights of (9R,10S,11S,15R)-13-(4-(benzyloxy)phenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione
The XLogP value of 5.6622 indicates that (9R,10S,11S,15R)-13-(4-(benzyloxy)phenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, (9R,10S,11S,15R)-13-(4-(benzyloxy)phenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (9R,10S,11S,15R)-13-(4-(benzyloxy)phenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (9R,10S,11S,15R)-13-(4-(benzyloxy)phenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione?
The CAS number of (9R,10S,11S,15R)-13-(4-(benzyloxy)phenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione is 1022308-69-5.
What is the molecular formula of (9R,10S,11S,15R)-13-(4-(benzyloxy)phenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione?
The molecular formula of (9R,10S,11S,15R)-13-(4-(benzyloxy)phenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione is C31H23NO3.
What is the molecular weight of (9R,10S,11S,15R)-13-(4-(benzyloxy)phenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione?
The molecular weight of (9R,10S,11S,15R)-13-(4-(benzyloxy)phenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione is 457.17 g/mol.
Where can I buy (9R,10S,11S,15R)-13-(4-(benzyloxy)phenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione?
You can request a quote for (9R,10S,11S,15R)-13-(4-(benzyloxy)phenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (9R,10S,11S,15R)-13-(4-(benzyloxy)phenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (9R,10S,11S,15R)-13-(4-(benzyloxy)phenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.