Trastuzumab
TL;DR: Trastuzumab (CAS 195987-41-8) is a chemical compound with molecular formula C25H23N5O2S2 and molecular weight 489.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile
Also Known As: Trastuzumab, FTI BMS 214662, BMS 214662 [WHO-DD], (3R)-3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile, J1.430.396K
| Molecular Formula | C25H23N5O2S2 |
|---|---|
| Molecular Weight | 489.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.1293 |
| Heavy Atoms | 34 |
| Complexity | 834.0 |
Chemical Identifiers
| CAS Number | 195987-41-8 |
|---|---|
| SMILES | C1[C@H](N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=CS4)CC5=CC=CC=C5 |
| InChIKey | OLCWFLWEHWLBTO-HSZRJFAPSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trastuzumab (CAS 195987-41-8), with molecular formula C25H23N5O2S2 and molecular weight 489.13 g/mol. IUPAC: (3R)-3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile.
Chemical Property Profile of Trastuzumab
Property Insights of Trastuzumab
The XLogP value of 3.9 indicates that Trastuzumab is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trastuzumab. Following Lipinski's Rule of Five, Trastuzumab has 1 hydrogen bond donor(s) and 7 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 Trastuzumab?
The CAS number of Trastuzumab is 195987-41-8.
What is the molecular formula of Trastuzumab?
The molecular formula of Trastuzumab is C25H23N5O2S2.
What is the molecular weight of Trastuzumab?
The molecular weight of Trastuzumab is 489.13 g/mol.
Where can I buy Trastuzumab?
You can request a quote for Trastuzumab directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trastuzumab?
Yes, KEHONG BIO provides custom synthesis services for Trastuzumab and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.