BL 4712A
TL;DR: BL 4712A (CAS 88216-79-9) is a chemical compound with molecular formula C23H28ClN3O4 and molecular weight 445.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,6S,7S,8S)-4-[3-(dimethylamino)propyl]-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl] 1H-indole-3-carboxylate;hydrochloride
Also Known As: BL-4712A, BL 4712A, KST-1A8705, (3as,4s,5s,7s,7ar)-2-[3-(dimethylamino)propyl]-1,3-dioxooctahydro-1h-4,7-methanoisoindol-5-yl 1h-indole-3-carboxylate hydrochloride(1:1), [(1S,2R,6S,7S,8S)-4-[3-(Dimethylamino)propyl]-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl] 1H-indole-3-carboxylate;hydrochloride
| Molecular Formula | C23H28ClN3O4 |
|---|---|
| Molecular Weight | 445.18 g/mol |
| LogP | 2.7078 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.17682 |
| Heavy Atoms | 31 |
| Complexity | 725.0 |
Chemical Identifiers
| CAS Number | 88216-79-9 |
|---|---|
| SMILES | CN(C)CCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@H](C3)OC(=O)C4=CNC5=CC=CC=C54.Cl |
| InChIKey | SEYPSTRDPZHIHU-BFLIXHCISA-N |
Product Overview
BL 4712A (CAS 88216-79-9), with molecular formula C23H28ClN3O4 and molecular weight 445.18 g/mol. IUPAC: [(1S,2R,6S,7S,8S)-4-[3-(dimethylamino)propyl]-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl] 1H-indole-3-carboxylate;hydrochloride.
Chemical Property Profile of BL 4712A
Property Insights of BL 4712A
The XLogP value of 2.7078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BL 4712A. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BL 4712A. Following Lipinski's Rule of Five, BL 4712A 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 BL 4712A?
The CAS number of BL 4712A is 88216-79-9.
What is the molecular formula of BL 4712A?
The molecular formula of BL 4712A is C23H28ClN3O4.
What is the molecular weight of BL 4712A?
The molecular weight of BL 4712A is 445.18 g/mol.
Where can I buy BL 4712A?
You can request a quote for BL 4712A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BL 4712A?
Yes, KEHONG BIO provides custom synthesis services for BL 4712A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.