Indocarbazostatin B
TL;DR: Indocarbazostatin B (CAS 334831-87-7) is a chemical compound with molecular formula C28H22N4O7 and molecular weight 526.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (15S,16S,18R)-9-amino-10,16-dihydroxy-15-methyl-3,5-dioxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8(13),9,11,20,22,24,26-nonaene-16-carboxylate
Also Known As: Indocarbazostatin B, (-)-Indocarbazostatin B, J1.465.197G, Ethyl (15S,16S,18R)-9-amino-10,16-dihydroxy-15-methyl-3,5-dioxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8(13),9,11,20,22,24,26-nonaene-16-carboxylate, (14S,15S,17R)-5,7-Dioxo-5,7,12,13-tetrahydro-12,13-butano-3,15-dihydroxy-4-amino-14-methyl-14,17-epoxy-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-15-carboxylic acid ethyl ester
| Molecular Formula | C28H22N4O7 |
|---|---|
| Molecular Weight | 526.15 g/mol |
| LogP | 2.9732 |
| Topological Polar Surface Area | 158.04 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 526.14886 |
| Heavy Atoms | 39 |
| Complexity | 2038.7441 |
Chemical Identifiers
| CAS Number | 334831-87-7 |
|---|---|
| SMILES | CCOC(=O)[C@@]1(C[C@@H]2N3C4=CC=CC=C4C5=C6C(=C7C8=C(C=CC(=C8N)O)N(C7=C53)[C@]1(O2)C)C(=O)NC6=O)O |
Product Overview
Indocarbazostatin B (CAS 334831-87-7), with molecular formula C28H22N4O7 and molecular weight 526.15 g/mol. IUPAC: ethyl (15S,16S,18R)-9-amino-10,16-dihydroxy-15-methyl-3,5-dioxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8(13),9,11,20,22,24,26-nonaene-16-carboxylate.
Chemical Property Profile of Indocarbazostatin B
Property Insights of Indocarbazostatin B
The XLogP value of 2.9732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indocarbazostatin B. The TPSA of 158.04 Ų indicates high polarity, suggesting Indocarbazostatin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Indocarbazostatin B has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Indocarbazostatin B?
The CAS number of Indocarbazostatin B is 334831-87-7.
What is the molecular formula of Indocarbazostatin B?
The molecular formula of Indocarbazostatin B is C28H22N4O7.
What is the molecular weight of Indocarbazostatin B?
The molecular weight of Indocarbazostatin B is 526.15 g/mol.
Where can I buy Indocarbazostatin B?
You can request a quote for Indocarbazostatin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indocarbazostatin B?
Yes, KEHONG BIO provides custom synthesis services for Indocarbazostatin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.