Asperlicin B
TL;DR: Asperlicin B (CAS 93413-08-2) is a chemical compound with molecular formula C31H29N5O5 and molecular weight 551.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S)-7-[[(2S,3aR,4S)-3,4-dihydroxy-2-(2-methylpropyl)-1-oxo-2,3a-dihydroimidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
Also Known As: Asperlicin B, asperlicinB, ASPERLICIN B [MI], (7S)-7-[[(2S,3aR,4S)-3,4-dihydroxy-2-(2-methylpropyl)-1-oxo-2,3a-dihydroimidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione, Quinazolino(3,2-a)(1,4)benzodiazepine-5,13-dione, 6,7-dihydro-7-((2,3,9,9a-tetrahydro-1,9-dihydroxy-2-(2-methylpropyl)-3-oxo-1H-imidazo(1,2-a)indol-9-yl)methyl)-, (2S-(2alpha,9beta,9(R*),9abeta))-
| Molecular Formula | C31H29N5O5 |
|---|---|
| Molecular Weight | 551.22 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 551.21686 |
| Heavy Atoms | 41 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 93413-08-2 |
|---|---|
| SMILES | CC(C)C[C@H]1C(=O)N2[C@H](N1O)[C@@](C3=CC=CC=C32)(C[C@H]4C5=NC6=CC=CC=C6C(=O)N5C7=CC=CC=C7C(=O)N4)O |
| InChIKey | SVMKNJGSJSFLSU-IWENFQHWSA-N |
Product Overview
Asperlicin B (CAS 93413-08-2), with molecular formula C31H29N5O5 and molecular weight 551.22 g/mol. IUPAC: (7S)-7-[[(2S,3aR,4S)-3,4-dihydroxy-2-(2-methylpropyl)-1-oxo-2,3a-dihydroimidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione.
Chemical Property Profile of Asperlicin B
Property Insights of Asperlicin B
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Asperlicin B. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Asperlicin B. Following Lipinski's Rule of Five, Asperlicin B has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Asperlicin B?
The CAS number of Asperlicin B is 93413-08-2.
What is the molecular formula of Asperlicin B?
The molecular formula of Asperlicin B is C31H29N5O5.
What is the molecular weight of Asperlicin B?
The molecular weight of Asperlicin B is 551.22 g/mol.
Where can I buy Asperlicin B?
You can request a quote for Asperlicin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asperlicin B?
Yes, KEHONG BIO provides custom synthesis services for Asperlicin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.