BAS 04995995
TL;DR: BAS 04995995 (CAS 797814-69-8) is a chemical compound with molecular formula C23H27N5O2 and molecular weight 405.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,7-dicyclopentyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: BAS 04995995, AS-871/41399745, 1-Cyclopentyl-2-imino-8-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid cyclopentylamide, N,7-dicyclopentyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, 2-azanylidene-N,1-dicyclopentyl-10-methyl-5-oxidanylidene-dipyrido[3,4-c:1'',2''-f]pyrimidine-3-carboxamide
| Molecular Formula | C23H27N5O2 |
|---|---|
| Molecular Weight | 405.22 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.21646 |
| Heavy Atoms | 30 |
| Complexity | 972.0 |
Chemical Identifiers
| CAS Number | 797814-69-8 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C4CCCC4)C(=O)NC5CCCC5 |
| InChIKey | OTOYPUZUQZCTOG-UHFFFAOYSA-N |
Product Overview
BAS 04995995 (CAS 797814-69-8), with molecular formula C23H27N5O2 and molecular weight 405.22 g/mol. IUPAC: N,7-dicyclopentyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of BAS 04995995
Property Insights of BAS 04995995
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04995995. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04995995. Following Lipinski's Rule of Five, BAS 04995995 has 2 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 BAS 04995995?
The CAS number of BAS 04995995 is 797814-69-8.
What is the molecular formula of BAS 04995995?
The molecular formula of BAS 04995995 is C23H27N5O2.
What is the molecular weight of BAS 04995995?
The molecular weight of BAS 04995995 is 405.22 g/mol.
Where can I buy BAS 04995995?
You can request a quote for BAS 04995995 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04995995?
Yes, KEHONG BIO provides custom synthesis services for BAS 04995995 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.