J2.539.339B
TL;DR: J2.539.339B (CAS 99414-59-2) is a chemical compound with molecular formula C18H25N3O2 and molecular weight 315.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10S,13S)-13-(hydroxymethyl)-3,9-dimethyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one
Also Known As: J2.539.339B, 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1,8-dimethyl-2-(1-methylethyl)-, (2S,5S)-, (2s,5s)-5-(hydroxymethyl)-1,8-dimethyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3h-[1,4]diazonino[7,6,5-cd]indol-3-one, (10S,13S)-13-(hydroxymethyl)-3,9-dimethyl-10-(propan-2-yl)-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one, 1,8-Dimethyl-2beta-isopropyl-1,2,4,5,6,8-hexahydro-5alpha-(hydroxymethyl)-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonine-3-one
| Molecular Formula | C18H25N3O2 |
|---|---|
| Molecular Weight | 315.19 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.19467 |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 99414-59-2 |
|---|---|
| SMILES | CC(C)[C@H]1C(=O)N[C@@H](CC2=CN(C3=C2C(=CC=C3)N1C)C)CO |
| InChIKey | FBDFURRPNPSSJR-GUYCJALGSA-N |
Product Overview
J2.539.339B (CAS 99414-59-2), with molecular formula C18H25N3O2 and molecular weight 315.19 g/mol. IUPAC: (10S,13S)-13-(hydroxymethyl)-3,9-dimethyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one.
Chemical Property Profile of J2.539.339B
Property Insights of J2.539.339B
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J2.539.339B. With a topological polar surface area (TPSA) of 57.5 Ų, J2.539.339B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J2.539.339B has 2 hydrogen bond donor(s) and 3 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 J2.539.339B?
The CAS number of J2.539.339B is 99414-59-2.
What is the molecular formula of J2.539.339B?
The molecular formula of J2.539.339B is C18H25N3O2.
What is the molecular weight of J2.539.339B?
The molecular weight of J2.539.339B is 315.19 g/mol.
Where can I buy J2.539.339B?
You can request a quote for J2.539.339B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.539.339B?
Yes, KEHONG BIO provides custom synthesis services for J2.539.339B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.