Chitinovorin B
TL;DR: Chitinovorin B (CAS 95722-76-2) is a chemical compound with molecular formula C29H46N10O12S and molecular weight 758.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(5-amino-5-carboxypentanoyl)amino]-3-[[4-[2-(2-aminopropanoylamino)propanoylamino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Chitinovorin B, Chitinovorin-B, 7-[(5-amino-5-carboxypentanoyl)amino]-3-[[4-[2-(2-aminopropanoylamino)propanoylamino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(5-amino-6-hydroxy-6-oxohexanoyl)amino]-3-[[4-[2-(2-aminopropanoylamino)propanoylamino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, L-Alaninamide, L-alanyl-N-(4-((7-((5-amino-5-carboxy-1-oxopentyl)amino)-2-carboxy-7-(formylamino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methoxy)-1-(3-((aminoiminomethyl)amino)propyl)-2-hydroxy-4-oxobutyl)-, (6R-(3(1S*,2R*),6alpha,7beta(R*)))-
| Molecular Formula | C29H46N10O12S |
|---|---|
| Molecular Weight | 758.30 g/mol |
| LogP | -9.1 |
| Topological Polar Surface Area | 400.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 22 |
| Exact Mass | 758.30176 |
| Heavy Atoms | 52 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 95722-76-2 |
|---|---|
| SMILES | CC(C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(CC(=O)OCC1=C(N2C(C(C2=O)(NC=O)NC(=O)CCCC(C(=O)O)N)SC1)C(=O)O)O)N |
| InChIKey | GYGJEMVAHZKULL-UHFFFAOYSA-N |
Product Overview
Chitinovorin B (CAS 95722-76-2), with molecular formula C29H46N10O12S and molecular weight 758.30 g/mol. IUPAC: 7-[(5-amino-5-carboxypentanoyl)amino]-3-[[4-[2-(2-aminopropanoylamino)propanoylamino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Chitinovorin B
Property Insights of Chitinovorin B
The XLogP value of -9.1 indicates that Chitinovorin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 400.0 Ų indicates high polarity, suggesting Chitinovorin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chitinovorin B has 11 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chitinovorin B?
The CAS number of Chitinovorin B is 95722-76-2.
What is the molecular formula of Chitinovorin B?
The molecular formula of Chitinovorin B is C29H46N10O12S.
What is the molecular weight of Chitinovorin B?
The molecular weight of Chitinovorin B is 758.30 g/mol.
Where can I buy Chitinovorin B?
You can request a quote for Chitinovorin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chitinovorin B?
Yes, KEHONG BIO provides custom synthesis services for Chitinovorin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.