C27H31N5O4
TL;DR: C27H31N5O4 (CAS 956799-33-0) is a chemical compound with molecular formula C27H31N5O4 and molecular weight 489.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(dimethylamino)propyl]-2-[(2S)-12-methoxy-2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-4-yl]benzamide
Also Known As: (S)-N-(3-(dimethylamino)propyl)-2-(8-methoxy-11b-methyl-1,3-dioxo-5,6-dihydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H,11H,11bH)-yl)benzamide, N-[3-(dimethylamino)propyl]-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]benzamide
| Molecular Formula | C27H31N5O4 |
|---|---|
| Molecular Weight | 489.24 g/mol |
| LogP | 3.0981 |
| Topological Polar Surface Area | 97.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.2376 |
| Heavy Atoms | 36 |
| Complexity | 1363.448 |
Chemical Identifiers
| CAS Number | 956799-33-0 |
|---|---|
| SMILES | C[C@@]12C3=C(CCN1C(=O)N(C2=O)C4=CC=CC=C4C(=O)NCCCN(C)C)C5=C(N3)C=CC(=C5)OC |
Product Overview
C27H31N5O4 (CAS 956799-33-0), with molecular formula C27H31N5O4 and molecular weight 489.24 g/mol. IUPAC: N-[3-(dimethylamino)propyl]-2-[(2S)-12-methoxy-2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-4-yl]benzamide.
Chemical Property Profile of C27H31N5O4
Property Insights of C27H31N5O4
The XLogP value of 3.0981 indicates that C27H31N5O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.98 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H31N5O4. Following Lipinski's Rule of Five, C27H31N5O4 has 2 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 C27H31N5O4?
The CAS number of C27H31N5O4 is 956799-33-0.
What is the molecular formula of C27H31N5O4?
The molecular formula of C27H31N5O4 is C27H31N5O4.
What is the molecular weight of C27H31N5O4?
The molecular weight of C27H31N5O4 is 489.24 g/mol.
Where can I buy C27H31N5O4?
You can request a quote for C27H31N5O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H31N5O4?
Yes, KEHONG BIO provides custom synthesis services for C27H31N5O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.