NA 0345
TL;DR: NA 0345 (CAS 120925-60-2) is a chemical compound with molecular formula C27H24N4O3 and molecular weight 452.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(15S,16S,18S)-16-hydroxy-15-methyl-16-(methylaminomethyl)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one
Also Known As: NA 0345, (15S,16S,18S)-16-Hydroxy-15-methyl-16-(methylaminomethyl)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one, 9,12-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocin-1-one, 2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-10-((methylamino)methyl)-, (9S-(9alpha,10beta,12alpha))-, (5S,7S,8S)-8-Methyl-7-[(methylamino)methyl]-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-7,15-diol, 8-Methyl-7-[(methylamino)methyl]-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-7,15-diol
| Molecular Formula | C27H24N4O3 |
|---|---|
| Molecular Weight | 452.18 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 80.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 452.18484 |
| Heavy Atoms | 34 |
| Complexity | 901.0 |
Chemical Identifiers
| CAS Number | 120925-60-2 |
|---|---|
| SMILES | C[C@@]12[C@](C[C@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CNC)O |
| InChIKey | XRPFUJUZOIDJFP-DOYMOWJKSA-N |
Product Overview
NA 0345 (CAS 120925-60-2), with molecular formula C27H24N4O3 and molecular weight 452.18 g/mol. IUPAC: (15S,16S,18S)-16-hydroxy-15-methyl-16-(methylaminomethyl)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one.
Chemical Property Profile of NA 0345
Property Insights of NA 0345
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NA 0345. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for NA 0345. Following Lipinski's Rule of Five, NA 0345 has 3 hydrogen bond donor(s) and 4 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 NA 0345?
The CAS number of NA 0345 is 120925-60-2.
What is the molecular formula of NA 0345?
The molecular formula of NA 0345 is C27H24N4O3.
What is the molecular weight of NA 0345?
The molecular weight of NA 0345 is 452.18 g/mol.
Where can I buy NA 0345?
You can request a quote for NA 0345 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NA 0345?
Yes, KEHONG BIO provides custom synthesis services for NA 0345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.